| CAS Number | 1087791-97-6 |
| Catalog Number | AG019K7I |
| Chemical Name | 4-(3-chloropropanamido)-N-(2-methoxyphenyl)benzamide |
| IUPAC Name | 4-(3-chloropropanoylamino)-N-(2-methoxyphenyl)benzamide |
| InChI | InChI=1S/C17H17ClN2O3/c1-23-15-5-3-2-4-14(15)20-17(22)12-6-8-13(9-7-12)19-16(21)10-11-18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22) |
| InChI Key | MENKXUADSDWIPB-UHFFFAOYSA-N |
| MDL Number | MFCD11505355 |
| Molecular Formula | C17H17ClN2O3 |
| Molecular Weight | 332.7815 |
| SMILES | COC1=C(NC(C2=CC=C(NC(CCCl)=O)C=C2)=O)C=CC=C1 |
| Synonyms | 4-(3-chloropropanamido)-N-(2-methoxyphenyl)benzamide,
1087791-97-6,
4-[(3-chloropropanoyl)amino]-N-(2-methoxyphenyl)benzamide,
AC1Q45Q4,
CTK6H7317,
ZINC32626786,
AKOS008024476,
MCULE-3095382999,
NE23442,
EN300-25841,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.784g/mol |
| Monoisotopic Mass | 332.093g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number