![Chemical structure of 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide, CAS 284461-73-0](https://api.angenesci.com/structure/2722/284461-73-0.png)
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| CAS Number | 284461-73-0 |
| Catalog Number | AG0039KS(AGN-PC-0R42XI) |
| Chemical Name | 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide |
| EC Number | 608-209-4 |
| IUPAC Name | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide |
| InChI | InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) |
| InChI Key | MLDQJTXFUGDVEO-UHFFFAOYSA-N |
| MDL Number | MFCD06411450 |
| Molecular Formula | C21H16ClF3N4O3 |
| Molecular Weight | 464.8249 |
| NSC Number | 747971 |
| SMILES | ClC1=C(C=C(C=C1)NC(=O)NC1=CC=C(OC2=CC(=NC=C2)C(=O)NC)C=C1)C(F)(F)F |
| UNII | 9ZOQ3TZI87 |
| Synonyms | 4-(4-(3-(4-Chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxylic acid methyamide-4-methylbenzenesulfonate,
BAY 43 9006,
BAY 43-9006,
BAY 439006,
BAY 545 9085,
BAY 545-9085,
BAY 5459085,
BAY 673472,
BAY-545-9085,
BAY-673472,
BAY5459085,
Nexavar,
sorafenib,
Sorafenib N Oxide,
sorafenib N-oxide,
sorafenib tosylate,
Sorafenib,
284461-73-0,
Nexavar,
BAY 43-9006,
4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide,
UNII-9ZOQ3TZI87,
4-(4-(3-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PHENOXY)-N-METHYLPICOLINAMIDE,
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide,
N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea,
9ZOQ3TZI87,
CHEMBL1336,
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-pyridine-2-carboxamide,
4-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamide,
4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE,
CHEBI:50924,
Sorafenib-d3,
MFCD06411450,
2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-,
BAY-43-9006,
Sorafenib (Nexavar),
Sorafenib [INN],
4-(4-{3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide,
4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide,
sorafenibum,
2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-,
BAX,
NSC-724772,
BAY-54-9085,
NCGC00167488-01,
Sorafinib,
Sorafenib [USAN:INN:BAN],
SR-00000000529,
HSDB 8173,
1uwh,
3gcs,
3heg,
4asd,
Hit compound, 8,
Sorafenib, 4,
BAY 439006,
BAY43-9006,
Kinome_766,
SORAFENIB BASE,
Sorafenib (USAN/INN),
Nexavar (TN) (Bayer),
EC 608-209-4,
AC1L50CF,
SCHEMBL8218,
4-(4-(3-(4-chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxyllic acid methyamide-4-methylbenzenesulfonate,
cid_216239,
GTPL5711,
QCR-65,
DTXSID7041128,
BDBM16673,
Nexavar|||BAY 43-9006,
SYN1082,
MLDQJTXFUGDVEO-UHFFFAOYSA-N,
BCPP000064,
HMS2043A18,
HMS3244A15,
HMS3244A16,
HMS3244B15,
HMS3656N20,
K00597a,
ACT06732,
AOB87782,
BCP01767,
ZINC1493878,
AN-613,
BAY439006,
CS0056,
NSC747971,
RS0103,
s7397,
STK627350,
AKOS005560229,
AC-1674,
ACN-032355,
CS-1590,
DB00398,
MCULE-6112506696,
NSC-747971,
PB14443,
SB19942,
SF-0529,
BAY-43-0006,
KS-0000009E,
Sorafenib free base (BAY-43-9006),
NCGC00167488-02,
NCGC00167488-03,
NCGC00167488-04,
NCGC00167488-05,
NCGC00167488-07,
NCGC00167488-14,
100012-18-8,
4(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide,
AK163019,
BC679588,
EN002709,
HY-10201,
N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcar bamoyl)-4-pyridyloxy)phenyl)urea,
SC-19355,
AB0019677,
AB1004622,
LS-186067,
LS-187021,
LS-187788,
AM20090614,
FT-0650736,
SW202562-4,
D08524,
J10391,
15216-EP2272827A1,
15216-EP2298778A1,
15216-EP2311840A1,
15216-EP2316832A1,
15216-EP2316833A1,
AB00933189-05,
AB00933189-06,
AB00933189_08,
461S730,
I06-0856,
Q-201728,
SR-00000000529-1,
BRD-K23984367-001-01-8,
Z89277543,
4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl) ureido) phenoxy)-N-methylpicolinamide,
4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl) ureido)phenoxy)-N-methylpicolinamide,
N-(3-trifluoromethyl-4-chlorophenyl)-N'-(4-(2-methylcarbamoyl pyridin-4-yl)oxyphenyl)urea,
4-(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N2-methylpyridine-2-carboxamide,
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-picolinamide;tosylic acid,
4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)-amino]phenoxy}-N-methylpyridine-2-carboxamide,
4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-N-methyl-pyridine-2-carboxamide,
N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) urea,
N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[4-[2-(N-methylcarbamoyl)-4-pyridyloxy]phenyl]urea; 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide,
Sorafenib tosylate,
Xarelto,
Sorafenibtosylate,
Sorafenib tosilate,
Sorafenib N oxide,
Sorafenib N-Oxide,
Sorafenib (INN),
Nexavar (TN),
C21H16ClF3N4O3,
D0W5HK,
Sorafenib (Pan-TK inhibitor),
Sorafenib, 98% - 10MG 10mg,
284461-73-0 (free base),
CID216239,
BAY 545-9085,
BAY-545-9085,
C21-H16-Cl-F3-N4-O3,
BAY 673472,
BAY-673472,
BAY5459085,
CS-O-11744,
ND-0224,
BAY 43 9006,
BAY 5459085,
BAY 545 9085,
2161B,
A3009,
A8245,
V0124,
C-8800,
C471405,
475207-59-1,
D000077157,
1130115-44-4,
4-(4-(3-(4-Chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxylic acid methyamide-4-methylbenzenesulfonate,
N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[4-[2-(N-methylcarbamoyl)-4-pyridyloxy]phenyl]urea,
|
| Complexity | 646 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 464.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 464.829g/mol |
| Monoisotopic Mass | 464.086g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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