| CAS Number | 1404559-91-6 |
| Catalog Number | AG00A0IR(AGN-PC-0WNX9O) |
| Chemical Name | N-(4-Amino-4'-fluoro-[1,1'-biphenyl]-3-yl)tetrahydro-2H-pyran-4-carboxamide |
| IUPAC Name | N-[2-amino-5-(4-fluorophenyl)phenyl]oxane-4-carboxamide |
| InChI | InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22) |
| InChI Key | ZFCDNONWGMYBHA-UHFFFAOYSA-N |
| MDL Number | MFCD09971674 |
| Molecular Formula | C18H19FN2O2 |
| Molecular Weight | 314.3541 |
| SMILES | NC1=C(C=C(C=C1)C1=CC=C(C=C1)F)NC(=O)C1CCOCC1 |
| Synonyms | CHEMBL3828396,
N-(4-Amino-4'-Fluoro[1,1'-Biphenyl]-3-Yl)oxane-4-Carboxamide,
SCHEMBL13740528,
BRD4884,
BRD-4884,
BDBM50189903,
ZINC145105788,
J3.555.735K,
1404559-91-6,
IWX,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.36g/mol |
| Monoisotopic Mass | 314.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number