N-(4-chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
Chemical Structure Depiction of
N-(4-chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
N-(4-chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
Compound characteristics
| Compound ID: | 8004-6006 |
| Compound Name: | N-(4-chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide |
| Molecular Weight: | 298.72 |
| Molecular Formula: | C13 H15 Cl N2 O4 |
| Smiles: | CC(C)(C)C(CC(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7988 |
| logD: | 2.7113 |
| logSw: | -3.5043 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.715 |
| InChI Key: | NSTBUQQNZAXHAZ-UHFFFAOYSA-N |