2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0251 |
| Compound Name: | 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 320.77 |
| Molecular Formula: | C16 H17 Cl N2 O3 |
| Smiles: | Cc1cn(C)c(CC(Nc2cccc(c2C)[Cl])=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7116 |
| logD: | 0.9124 |
| logSw: | -3.2438 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.393 |
| InChI Key: | NMRRMRIUJHZHJB-UHFFFAOYSA-N |