N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-4-nitrobenzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-4-nitrobenzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-1440 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloro-4-nitrobenzamide |
| Molecular Weight: | 334.71 |
| Molecular Formula: | C15 H11 Cl N2 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3736 |
| logD: | 3.3736 |
| logSw: | -3.9787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.149 |
| InChI Key: | IBPOQUGGUHFTQG-UHFFFAOYSA-N |