1-butyl-N-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-butyl-N-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
1-butyl-N-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y031-4947 |
| Compound Name: | 1-butyl-N-(3-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide |
| Molecular Weight: | 319.79 |
| Molecular Formula: | C16 H18 Cl N3 O2 |
| Smiles: | CCCCN1CC(CC1=O)C(Nc1ccc(C#N)c(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2307 |
| logD: | 2.0889 |
| logSw: | -3.6072 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.832 |
| InChI Key: | KRTCORKWAODXKB-LBPRGKRZSA-N |