methyl 4-[(5-chloro-2-fluoro-N-methylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[(5-chloro-2-fluoro-N-methylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[(5-chloro-2-fluoro-N-methylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G798-0981 |
| Compound Name: | methyl 4-[(5-chloro-2-fluoro-N-methylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 352.79 |
| Molecular Formula: | C17 H18 Cl F N2 O3 |
| Smiles: | [H]n1c(C)c(CN(C)C(c2cc(ccc2F)[Cl])=O)c(C)c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3687 |
| logD: | 3.3687 |
| logSw: | -3.7528 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.544 |
| InChI Key: | QJYRTOGAAIYPNW-UHFFFAOYSA-N |