N-benzyl-1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
N-benzyl-1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | D501-0064 |
| Compound Name: | N-benzyl-1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 463.89 |
| Molecular Formula: | C25 H19 Cl F N3 O3 |
| Smiles: | C(c1ccccc1)NC(C1=CC(N(CC(Nc2ccc(c(c2)[Cl])F)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7613 |
| logD: | 3.7527 |
| logSw: | -4.3441 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.182 |
| InChI Key: | CAEYYTFWYQEHTR-UHFFFAOYSA-N |