| CAS Number | 746608-39-9 |
| Catalog Number | AG01DUCC |
| Chemical Name | 2-chloro-N-{[(2-ethylphenyl)carbamoyl]methyl}-N-methylpropanamide |
| IUPAC Name | 2-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide |
| InChI | InChI=1S/C14H19ClN2O2/c1-4-11-7-5-6-8-12(11)16-13(18)9-17(3)14(19)10(2)15/h5-8,10H,4,9H2,1-3H3,(H,16,18) |
| InChI Key | LUKTUOKMZDUYRP-UHFFFAOYSA-N |
| MDL Number | MFCD05273637 |
| Molecular Formula | C14H19ClN2O2 |
| Molecular Weight | 282.7659 |
| SMILES | CCC1=C(NC(CN(C(C(Cl)C)=O)C)=O)C=CC=C1 |
| Synonyms | 2-chloro-N-{[(2-ethylphenyl)carbamoyl]methyl}-N-methylpropanamide,
746608-39-9,
2-chloro-N-{2-[(2-ethylphenyl)amino]-2-oxoethyl}-N-methylpropanamide,
AC1MPFNI,
AC1Q2TX0,
CTK6D2255,
AKOS001062246,
AKOS016881403,
MCULE-8560671346,
NE20395,
EN300-09668,
2-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide,
ZINC02647829,
CID3434499,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.768g/mol |
| Monoisotopic Mass | 282.114g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number