| CAS Number | 1285097-46-2 |
| Catalog Number | AG01ACD9 |
| Chemical Name | N-(4-amino-3-methylphenyl)-3-chlorobenzamide |
| IUPAC Name | N-(4-amino-3-methylphenyl)-3-chlorobenzamide |
| InChI | InChI=1S/C14H13ClN2O/c1-9-7-12(5-6-13(9)16)17-14(18)10-3-2-4-11(15)8-10/h2-8H,16H2,1H3,(H,17,18) |
| InChI Key | PEPDWGIAGIYWHI-UHFFFAOYSA-N |
| MDL Number | MFCD16508171 |
| Molecular Formula | C14H13ClN2O |
| Molecular Weight | 260.7188 |
| SMILES | CC1=C(N)C=CC(NC(C2=CC(Cl)=CC=C2)=O)=C1 |
| Synonyms | N-(4-amino-3-methylphenyl)-3-chlorobenzamide,
1285097-46-2,
ZINC43569847,
AKOS010979529,
MCULE-1831562837,
NE46785,
Z1695697006,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.721g/mol |
| Monoisotopic Mass | 260.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number