2-chloro-N-[3-(3-chloro-4-fluoroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Chemical Structure Depiction of
2-chloro-N-[3-(3-chloro-4-fluoroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
2-chloro-N-[3-(3-chloro-4-fluoroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | 2628-3221 |
| Compound Name: | 2-chloro-N-[3-(3-chloro-4-fluoroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide |
| Molecular Weight: | 504.3 |
| Molecular Formula: | C23 H16 Cl2 F N3 O5 |
| Smiles: | COc1ccc(C(NC(=C\c2ccc(cc2)[N+]([O-])=O)\C(Nc2ccc(c(c2)[Cl])F)=O)=O)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5519 |
| logD: | 4.7075 |
| logSw: | -6.1313 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.179 |
| InChI Key: | JOCLGTSDPQEMEX-UHFFFAOYSA-N |