N-[3-(3-chloro-4-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[3-(3-chloro-4-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
N-[3-(3-chloro-4-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | 2681-3631 |
| Compound Name: | N-[3-(3-chloro-4-methoxyanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide |
| Molecular Weight: | 469.86 |
| Molecular Formula: | C23 H17 Cl F N3 O5 |
| Smiles: | COc1ccc(cc1[Cl])NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5771 |
| logD: | 3.8933 |
| logSw: | -4.7787 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.266 |
| InChI Key: | AUUJFBHGRKKHLS-UHFFFAOYSA-N |