4-chloro-N-[4-(cyanomethyl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[4-(cyanomethyl)phenyl]-3-nitrobenzamide
4-chloro-N-[4-(cyanomethyl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8013-1248 |
| Compound Name: | 4-chloro-N-[4-(cyanomethyl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 315.71 |
| Molecular Formula: | C15 H10 Cl N3 O3 |
| Smiles: | C(C#N)c1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6686 |
| logD: | 2.6581 |
| logSw: | -3.7174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.902 |
| InChI Key: | XAJDFDGGMBRKFZ-UHFFFAOYSA-N |