N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-2-chloro-5-fluorobenzamide
Chemical Structure Depiction of
N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-2-chloro-5-fluorobenzamide
N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-2-chloro-5-fluorobenzamide
Compound characteristics
| Compound ID: | T002-1364 |
| Compound Name: | N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-2-chloro-5-fluorobenzamide |
| Molecular Weight: | 308.74 |
| Molecular Formula: | C15 H14 Cl F N2 O2 |
| Smiles: | CC#CC(N1CCC(C1)NC(c1cc(ccc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8116 |
| logD: | 2.8116 |
| logSw: | -3.632 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.877 |
| InChI Key: | VCRQFCXIBAVOSU-NSHDSACASA-N |