N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methylanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methylanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methylanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Compound characteristics
Compound ID: | 2628-3179 |
Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methylanilino)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide |
Molecular Weight: | 452.87 |
Molecular Formula: | C24 H18 Cl F N2 O4 |
Smiles: | Cc1ccc(cc1F)NC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccccc1[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.2769 |
logD: | 4.9187 |
logSw: | -5.7126 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.37 |
InChI Key: | HLQXBPQXIBABLX-UHFFFAOYSA-N |