2-chloro-N-[4-(cyanomethyl)phenyl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[4-(cyanomethyl)phenyl]-5-nitrobenzamide
2-chloro-N-[4-(cyanomethyl)phenyl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | 8013-1249 |
| Compound Name: | 2-chloro-N-[4-(cyanomethyl)phenyl]-5-nitrobenzamide |
| Molecular Weight: | 315.71 |
| Molecular Formula: | C15 H10 Cl N3 O3 |
| Smiles: | C(C#N)c1ccc(cc1)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9256 |
| logD: | 2.9151 |
| logSw: | -3.8688 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.203 |
| InChI Key: | VLIVNXAHVBFILG-UHFFFAOYSA-N |