| CAS Number | 796106-58-6 |
| Catalog Number | AG019M22 |
| Chemical Name | 2-(propylamino)-N-(2,3,4-trifluorophenyl)acetamide |
| IUPAC Name | 2-(propylamino)-N-(2,3,4-trifluorophenyl)acetamide |
| InChI | InChI=1S/C11H13F3N2O/c1-2-5-15-6-9(17)16-8-4-3-7(12)10(13)11(8)14/h3-4,15H,2,5-6H2,1H3,(H,16,17) |
| InChI Key | VUXHVSPOHOOGNK-UHFFFAOYSA-N |
| MDL Number | MFCD06372774 |
| Molecular Formula | C11H13F3N2O |
| Molecular Weight | 246.2289 |
| SMILES | CCCNCC(NC1=C(F)C(F)=C(F)C=C1)=O |
| Synonyms | 2-(propylamino)-N-(2,3,4-trifluorophenyl)acetamide,
796106-58-6,
AC1MOQK2,
ZINC3886997,
AKOS008022844,
MCULE-4879364345,
NE32854,
Z52924023,
CID3324523,
2-propylamino-N-(2,3,4-trifluorophenyl)acetamide,
1170906-19-0,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.233g/mol |
| Monoisotopic Mass | 246.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number