N-[3-(3-chloro-4-fluoroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[3-(3-chloro-4-fluoroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
N-[3-(3-chloro-4-fluoroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2628-3323 |
| Compound Name: | N-[3-(3-chloro-4-fluoroanilino)-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide |
| Molecular Weight: | 484.91 |
| Molecular Formula: | C25 H22 Cl F N2 O5 |
| Smiles: | COc1cc(\C=C(/C(Nc2ccc(c(c2)[Cl])F)=O)NC(c2ccccc2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6494 |
| logD: | 3.8049 |
| logSw: | -5.0167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.232 |
| InChI Key: | OOFXMYKLGBQFIF-UHFFFAOYSA-N |