N-[4-(cyanomethyl)phenyl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-2-nitrobenzamide
N-[4-(cyanomethyl)phenyl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | 8013-1311 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-2-nitrobenzamide |
| Molecular Weight: | 281.27 |
| Molecular Formula: | C15 H11 N3 O3 |
| Smiles: | C(C#N)c1ccc(cc1)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1422 |
| logD: | 2.1178 |
| logSw: | -3.0829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.902 |
| InChI Key: | ASHPHEJJPNVKPG-UHFFFAOYSA-N |