N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-fluorobenzamide
Chemical Structure Depiction of
N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-fluorobenzamide
N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-fluorobenzamide
Compound characteristics
| Compound ID: | 2681-3527 |
| Compound Name: | N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-fluorobenzamide |
| Molecular Weight: | 518.72 |
| Molecular Formula: | C22 H14 Br Cl F N3 O4 |
| Smiles: | C(=C(/C(Nc1ccccc1[Br])=O)NC(c1ccc(cc1[Cl])F)=O)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2114 |
| logD: | 2.748 |
| logSw: | -5.8104 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.938 |
| InChI Key: | YSMVOEXGGKRJRJ-UHFFFAOYSA-N |