N-[4-(cyanomethyl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-3-nitrobenzamide
N-[4-(cyanomethyl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8013-1247 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 281.27 |
| Molecular Formula: | C15 H11 N3 O3 |
| Smiles: | C(C#N)c1ccc(cc1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3993 |
| logD: | 2.3981 |
| logSw: | -3.0023 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.203 |
| InChI Key: | FUCIORQIJSOBEH-UHFFFAOYSA-N |