N-[3-chloro-4-(pyrrolidin-1-yl)phenyl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-chloro-4-(pyrrolidin-1-yl)phenyl]-2-methyl-3-nitrobenzamide
N-[3-chloro-4-(pyrrolidin-1-yl)phenyl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 4244-1311 |
| Compound Name: | N-[3-chloro-4-(pyrrolidin-1-yl)phenyl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 359.81 |
| Molecular Formula: | C18 H18 Cl N3 O3 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1ccc(c(c1)[Cl])N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6851 |
| logD: | 4.421 |
| logSw: | -4.8697 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.928 |
| InChI Key: | MDACCIHDAVSNMW-UHFFFAOYSA-N |