N-(2-chloro-4-nitrophenyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(2-chloro-4-nitrophenyl)-3-methylbutanamide
N-(2-chloro-4-nitrophenyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | Y032-0821 |
| Compound Name: | N-(2-chloro-4-nitrophenyl)-3-methylbutanamide |
| Molecular Weight: | 256.69 |
| Molecular Formula: | C11 H13 Cl N2 O3 |
| Smiles: | CC(C)CC(Nc1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0613 |
| logD: | 2.8123 |
| logSw: | -3.5206 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.071 |
| InChI Key: | FJVOLILKUDLMGP-UHFFFAOYSA-N |