| CAS Number | 300676-12-4 |
| Catalog Number | AG00I5M0(AGN-PC-0WQYG4) |
| Chemical Name | 2-chloro-3-oxo-3-phenyl-N-(pyridin-3-yl)propanamide |
| IUPAC Name | 2-chloro-3-oxo-3-phenyl-N-pyridin-3-ylpropanamide |
| InChI | InChI=1S/C14H11ClN2O2/c15-12(13(18)10-5-2-1-3-6-10)14(19)17-11-7-4-8-16-9-11/h1-9,12H,(H,17,19) |
| InChI Key | MPVKZBIYTCUWTJ-UHFFFAOYSA-N |
| MDL Number | MFCD01911685 |
| Molecular Formula | C14H11ClN2O2 |
| Molecular Weight | 274.7023 |
| SMILES | ClC(C(C1=CC=CC=C1)=O)C(NC1=CN=CC=C1)=O |
| Synonyms | 2-chloro-3-oxo-3-phenyl-N-pyridin-3-ylpropanamide,
300676-12-4,
2-chloro-3-oxo-3-phenyl-N-(pyridin-3-yl)propanamide,
EN300-10493,
AC1Q3GEX,
AC1NM2T6,
CTK7F3596,
MFCD01911685,
AKOS000117512,
AKOS016881406,
MCULE-8956352975,
NE25694,
ZINC01466073,
CID4995912,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.704g/mol |
| Monoisotopic Mass | 274.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number