2-chloro-N-[3-(3-fluoro-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[3-(3-fluoro-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
2-chloro-N-[3-(3-fluoro-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2681-3613 |
| Compound Name: | 2-chloro-N-[3-(3-fluoro-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide |
| Molecular Weight: | 498.85 |
| Molecular Formula: | C23 H16 Cl F N4 O6 |
| Smiles: | Cc1ccc(cc1F)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2055 |
| logD: | 3.4764 |
| logSw: | -5.6429 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.017 |
| InChI Key: | JBDCXBADSOSZBH-UHFFFAOYSA-N |