| CAS Number | 835904-51-3 |
| Catalog Number | AG01EOII(AGN-PC-0072FX) |
| Chemical Name | Synta66 |
| IUPAC Name | N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide |
| InChI | InChI=1S/C20H17FN2O3/c1-25-15-7-8-19(26-2)17(11-15)13-3-5-14(6-4-13)23-20(24)16-9-10-22-12-18(16)21/h3-12H,1-2H3,(H,23,24) |
| InChI Key | GFEIWXNLDKUWIK-UHFFFAOYSA-N |
| MDL Number | MFCD30719243 |
| Molecular Formula | C20H17FN2O3 |
| Molecular Weight | 352.3590 |
| SMILES | COC1=C(C=C(C=C1)OC)C1=CC=C(C=C1)NC(C1=C(C=NC=C1)F)=O |
| Synonyms | Synta66,
835904-51-3,
Synta-66,
SCHEMBL1829334,
CHEMBL3403742,
AOB4122,
Synta66, >=98% (HPLC),
ZINC82013562,
NCGC00402338-02,
AS-16786,
HY-111325,
CS-0034949,
(N-(2',5'-dimethoxy[1,1'-biphenyl]-4-yl)-3-fluoro-4-pyridinecarboxamide),
CID11337104,
N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoro-pyridine-4-carboxamide,
|
| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.365g/mol |
| Monoisotopic Mass | 352.122g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number