N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | 2681-3485 |
| Compound Name: | N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide |
| Molecular Weight: | 457.82 |
| Molecular Formula: | C22 H14 Cl F2 N3 O4 |
| Smiles: | C(=C(/C(Nc1ccc(c(c1)[Cl])F)=O)NC(c1ccccc1F)=O)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7967 |
| logD: | 3.9522 |
| logSw: | -5.0902 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.636 |
| InChI Key: | BSDBTAPOZMDUAD-UHFFFAOYSA-N |