3-(4-chloro-2-fluoroanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-chloro-2-fluoroanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(4-chloro-2-fluoroanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0898 |
| Compound Name: | 3-(4-chloro-2-fluoroanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 343.78 |
| Molecular Formula: | C19 H15 Cl F N O2 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)Nc1ccc(cc1F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4663 |
| logD: | 4.8423 |
| logSw: | -6.2325 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.197 |
| InChI Key: | YMXZLDRXZBQKIQ-UHFFFAOYSA-N |