| CAS Number | 284461-74-1 |
| Catalog Number | AG01CBJM(AGN-PC-0R42XX) |
| Chemical Name | 4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinamide |
| IUPAC Name | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide |
| InChI | InChI=1S/C20H14ClF3N4O3/c21-16-6-3-12(9-15(16)20(22,23)24)28-19(30)27-11-1-4-13(5-2-11)31-14-7-8-26-17(10-14)18(25)29/h1-10H,(H2,25,29)(H2,27,28,30) |
| InChI Key | UAEWBZYTKIMYRQ-UHFFFAOYSA-N |
| MDL Number | MFCD29045223 |
| Molecular Formula | C20H14ClF3N4O3 |
| Molecular Weight | 450.7984 |
| SMILES | O=C(NC1=CC(C(F)(F)F)=C(Cl)C=C1)NC2=CC=C(C=C2)OC3=CC=NC(C(N)=O)=C3 |
| UNII | N4T1W2J64C |
| Synonyms | UNII-N4T1W2J64C,
CHEMBL403732,
N4T1W2J64C,
284461-74-1,
N-Desmethyl sorafenib,
Sorafenib metabolite M4,
SCHEMBL548133,
UAEWBZYTKIMYRQ-UHFFFAOYSA-N,
BDBM50375257,
BAY-439007,
BAY 43-9007,
BAY-43-9007,
n-(4-chloro-3-(trifluoromethyl)phenyl)-n'-(4-(2-carbamoyl-4-pyridyloxy)phenyl)urea,
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-{4-[2-carbamoyl-(4-pyridyloxy)]phenyl} urea,
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-{4-[2-carbamoyl-(4-pyridyloxy)]phenyl}urea,
N-[4-chloro-3-(trifluoromethyl)phenyl]N'-{4-[2-carbamoyl-(4-pyridyloxy)]phenyl}urea,
2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl) phenyl)amino)carbonyl)amino)phenoxy)-,
4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-2-pyridine carboxamide,
CID10151557,
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide,
|
| Complexity | 631 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 450.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 450.802g/mol |
| Monoisotopic Mass | 450.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number