N-{1-[(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl}but-2-ynamide
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl}but-2-ynamide
N-{1-[(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl}but-2-ynamide
Compound characteristics
| Compound ID: | T002-1876 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl}but-2-ynamide |
| Molecular Weight: | 322.76 |
| Molecular Formula: | C16 H16 Cl F N2 O2 |
| Smiles: | CC#CC(NC1CCN(C1)C(Cc1c(cccc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5525 |
| logD: | 2.5525 |
| logSw: | -3.2396 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.663 |
| InChI Key: | GOKRYWICQNGGTO-NSHDSACASA-N |