3-(4-chlorophenyl)-4-(4-fluoroanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-(4-fluoroanilino)cyclobut-3-ene-1,2-dione
3-(4-chlorophenyl)-4-(4-fluoroanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0057 |
| Compound Name: | 3-(4-chlorophenyl)-4-(4-fluoroanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 301.7 |
| Molecular Formula: | C16 H9 Cl F N O2 |
| Smiles: | c1cc(ccc1C1=C(C(C1=O)=O)Nc1ccc(cc1)F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8066 |
| logD: | 3.7888 |
| logSw: | -4.4956 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | MWVVSZIVOLGEJA-UHFFFAOYSA-N |