2-chloro-N-[3-(2,4-difluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[3-(2,4-difluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
2-chloro-N-[3-(2,4-difluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2681-3616 |
| Compound Name: | 2-chloro-N-[3-(2,4-difluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide |
| Molecular Weight: | 502.82 |
| Molecular Formula: | C22 H13 Cl F2 N4 O6 |
| Smiles: | C(=C(/C(Nc1ccc(cc1F)F)=O)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6699 |
| logD: | 2.0085 |
| logSw: | -5.1709 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.319 |
| InChI Key: | BLWNHNGQMZUTEA-UHFFFAOYSA-N |