N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | 2681-3633 |
| Compound Name: | N-[3-(4-chloro-3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide |
| Molecular Weight: | 484.83 |
| Molecular Formula: | C22 H14 Cl F N4 O6 |
| Smiles: | C(=C(/C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)NC(c1ccccc1F)=O)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3412 |
| logD: | 2.8088 |
| logSw: | -4.7546 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.716 |
| InChI Key: | NGLUXBGGQNTTFM-UHFFFAOYSA-N |