| CAS Number | 565171-06-4 |
| Catalog Number | AG00ECKX |
| Chemical Name | 3-(2-Chloroacetamido)-N-(3-(trifluoromethyl)phenyl)benzamide |
| IUPAC Name | 3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide |
| InChI | InChI=1S/C16H12ClF3N2O2/c17-9-14(23)21-12-5-1-3-10(7-12)15(24)22-13-6-2-4-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24) |
| InChI Key | NQICBDPFUAPOJE-UHFFFAOYSA-N |
| MDL Number | MFCD03980967 |
| Molecular Formula | C16H12ClF3N2O2 |
| Molecular Weight | 356.7269 |
| SMILES | O=C(NC1=CC=CC(C(F)(F)F)=C1)C2=CC=CC(NC(CCl)=O)=C2 |
| Synonyms | 3-(2-Chloro-acetylamino)-N-(3-trifluoromethyl-phenyl)-benzamide,
565171-06-4,
3-(2-chloroacetamido)-N-[3-(trifluoromethyl)phenyl]benzamide,
3-(2-Chloroacetamido)-N-(3-(trifluoromethyl)phenyl)benzamide,
AC1M5ZOM,
AC1Q4J84,
CTK6H5585,
ZINC3246418,
AKOS000122558,
MCULE-7493842658,
NE17473,
EN300-04994,
J-510494,
3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide,
2-Fluoro-6-methoxyphenylboronic acid,
ZINC03246418,
CID2363664,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.729g/mol |
| Monoisotopic Mass | 356.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number