| CAS Number | 721900-06-7 |
| Catalog Number | AG019HQF |
| Chemical Name | 2-chloro-N-methyl-N-{[(4-methylphenyl)carbamoyl]methyl}acetamide |
| IUPAC Name | 2-[(2-chloroacetyl)-methylamino]-N-(4-methylphenyl)acetamide |
| InChI | InChI=1S/C12H15ClN2O2/c1-9-3-5-10(6-4-9)14-11(16)8-15(2)12(17)7-13/h3-6H,7-8H2,1-2H3,(H,14,16) |
| InChI Key | VTCGNTYQBBRWBX-UHFFFAOYSA-N |
| MDL Number | MFCD03952877 |
| Molecular Formula | C12H15ClN2O2 |
| Molecular Weight | 254.7127 |
| SMILES | CN(C(CCl)=O)CC(NC1=CC=C(C)C=C1)=O |
| Synonyms | 2-chloro-N-methyl-N-{[(4-methylphenyl)carbamoyl]methyl}acetamide,
2-Chloro-N-methyl-N-(p-tolylcarbamoyl-methyl)-acetamide,
721900-06-7,
AC1M6NCI,
AC1Q3X93,
CTK8F4218,
ZINC3311008,
AKOS030750730,
MCULE-3093757884,
NE20194,
EN300-04395,
SR-01000037284,
SR-01000037284-1,
2-[(2-chloroacetyl)-methylamino]-N-(4-methylphenyl)acetamide,
ZINC03311008,
CID2426768,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.714g/mol |
| Monoisotopic Mass | 254.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number