| CAS Number | 251097-32-2 |
| Catalog Number | AG00IPH9(AGN-PC-0WAPCJ) |
| Chemical Name | 2-Chloro-N-[4-(pyrrolidin-1-yl)phenyl]propanamide |
| IUPAC Name | 2-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide |
| InChI | InChI=1S/C13H17ClN2O/c1-10(14)13(17)15-11-4-6-12(7-5-11)16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,15,17) |
| InChI Key | KQRVTACYQSSZSL-UHFFFAOYSA-N |
| MDL Number | MFCD00173029 |
| Molecular Formula | C13H17ClN2O |
| Molecular Weight | 252.7399 |
| SMILES | CC(C(NC1=CC=C(N2CCCC2)C=C1)=O)Cl |
| Synonyms | 2-chloro-N-[4-(pyrrolidin-1-yl)phenyl]propanamide,
251097-32-2,
2-chloro-N-[4-(1-pyrrolidinyl)phenyl]propanamide,
AC1MCAR7,
KS-00001QO6,
MFCD00173029,
AKOS000101170,
AKOS016339867,
MCULE-7396123017,
NE25691,
10G-487S,
EN300-28102,
2-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide,
ZINC01393209,
CID2765078,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.742g/mol |
| Monoisotopic Mass | 252.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number