2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0280 |
| Compound Name: | 2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 338.76 |
| Molecular Formula: | C16 H16 Cl F N2 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9481 |
| logD: | 1.1488 |
| logSw: | -3.2525 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.26 |
| InChI Key: | TWGOBDJTVQDCIQ-UHFFFAOYSA-N |