| CAS Number | 747411-15-0 |
| Catalog Number | AG019JMG |
| Chemical Name | 2-chloro-N-{[(2,3,4-trifluorophenyl)carbamoyl]methyl}propanamide |
| IUPAC Name | 2-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide |
| InChI | InChI=1S/C11H10ClF3N2O2/c1-5(12)11(19)16-4-8(18)17-7-3-2-6(13)9(14)10(7)15/h2-3,5H,4H2,1H3,(H,16,19)(H,17,18) |
| InChI Key | UDEKLBHATAMXDF-UHFFFAOYSA-N |
| MDL Number | MFCD05270865 |
| Molecular Formula | C11H10ClF3N2O2 |
| Molecular Weight | 294.6575 |
| SMILES | CC(C(NCC(NC1=C(F)C(F)=C(F)C=C1)=O)=O)Cl |
| Synonyms | 2-chloro-N-{[(2,3,4-trifluorophenyl)carbamoyl]methyl}propanamide,
747411-15-0,
2-chloro-N-{2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl}propanamide,
AC1MPQD4,
AC1Q2AYF,
CTK6A3254,
AKOS008967629,
MCULE-3436677245,
NE25297,
EN300-09835,
2-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide,
ZINC02641103,
CID3439494,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.658g/mol |
| Monoisotopic Mass | 294.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number