| CAS Number | 1803609-27-9 |
| Catalog Number | AG019VSE |
| Chemical Name | 3-(2-chloroacetamido)-4-methyl-N-phenylbenzamide |
| IUPAC Name | 3-[(2-chloroacetyl)amino]-4-methyl-N-phenylbenzamide |
| InChI | InChI=1S/C16H15ClN2O2/c1-11-7-8-12(9-14(11)19-15(20)10-17)16(21)18-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,21)(H,19,20) |
| InChI Key | HSYQNSHSHURABJ-UHFFFAOYSA-N |
| MDL Number | MFCD28012473 |
| Molecular Formula | C16H15ClN2O2 |
| Molecular Weight | 302.7555 |
| SMILES | CC1=C(NC(CCl)=O)C=C(C(NC2=CC=CC=C2)=O)C=C1 |
| Synonyms | 3-(2-chloroacetamido)-4-methyl-N-phenylbenzamide,
1803609-27-9,
ZINC96300820,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.758g/mol |
| Monoisotopic Mass | 302.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number