| CAS Number | 744227-38-1 |
| Catalog Number | AG00FC30 |
| Chemical Name | 2-Chloro-N-methyl-N-(2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)acetamide |
| IUPAC Name | 2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide |
| InChI | InChI=1S/C12H12ClF3N2O2/c1-18(11(20)6-13)7-10(19)17-9-5-3-2-4-8(9)12(14,15)16/h2-5H,6-7H2,1H3,(H,17,19) |
| InChI Key | QOZAAOJVMDJPTE-UHFFFAOYSA-N |
| MDL Number | MFCD05266748 |
| Molecular Formula | C12H12ClF3N2O2 |
| Molecular Weight | 308.6841 |
| SMILES | O=C(N(C)CC(NC1=CC=CC=C1C(F)(F)F)=O)CCl |
| Synonyms | 744227-38-1,
2-chloro-N-methyl-N-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)acetamide,
2-chloro-N-methyl-N-({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)acetamide,
2-Chloro-N-methyl-N-(2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)acetamide,
2-CHLORO-N-METHYL-N-(2-OXO-2-[[2-(TRIFLUOROMETHYL)PHENYL]AMINO]ETHYL)ACETAMIDE,
AC1M1GQF,
AC1Q3X90,
CTK6H4874,
ZINC2633309,
AKOS001055547,
MCULE-4773965610,
NE23980,
EN300-11911,
J-509152,
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide,
ZINC02633309,
CID2095781,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.685g/mol |
| Monoisotopic Mass | 308.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number