N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-nitrobenzamide
N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8019-1420 |
| Compound Name: | N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-nitrobenzamide |
| Molecular Weight: | 354.24 |
| Molecular Formula: | C14 H9 F3 N4 O4 |
| Smiles: | CC1=C(C#N)C(C(N1)=O)(C(F)(F)F)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7644 |
| logD: | -0.942 |
| logSw: | -2.3677 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.337 |
| InChI Key: | SHODZJJEQKCIHA-ZDUSSCGKSA-N |