4-nitro-N-{2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl}benzamide
Chemical Structure Depiction of
4-nitro-N-{2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl}benzamide
4-nitro-N-{2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl}benzamide
Compound characteristics
| Compound ID: | 1501-0628 |
| Compound Name: | 4-nitro-N-{2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl}benzamide |
| Molecular Weight: | 491.08 |
| Molecular Formula: | C16 H10 Cl4 F3 N3 O3 |
| Smiles: | c1cc(ccc1C(NC(C([Cl])([Cl])[Cl])Nc1cc(ccc1[Cl])C(F)(F)F)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3438 |
| logD: | 5.0251 |
| logSw: | -6.1664 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.133 |
| InChI Key: | WBKHXAIBKOCZCA-CQSZACIVSA-N |