4-bromo-N-[1-(2-fluorophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
4-bromo-N-[1-(2-fluorophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
4-bromo-N-[1-(2-fluorophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2339-2248 |
| Compound Name: | 4-bromo-N-[1-(2-fluorophenyl)-3-(4-nitroanilino)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 484.28 |
| Molecular Formula: | C22 H15 Br F N3 O4 |
| Smiles: | C(=C(/C(Nc1ccc(cc1)[N+]([O-])=O)=O)NC(c1ccc(cc1)[Br])=O)\c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.1813 |
| logD: | 3.8504 |
| logSw: | -5.5044 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.636 |
| InChI Key: | BMQRFBKLKMYRRB-UHFFFAOYSA-N |