N-(3-chloro-4-cyanophenyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(3-chloro-4-cyanophenyl)-3-methylbutanamide
N-(3-chloro-4-cyanophenyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | Y030-4830 |
| Compound Name: | N-(3-chloro-4-cyanophenyl)-3-methylbutanamide |
| Molecular Weight: | 236.7 |
| Molecular Formula: | C12 H13 Cl N2 O |
| Smiles: | CC(C)CC(Nc1ccc(C#N)c(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2483 |
| logD: | 3.1858 |
| logSw: | -3.7911 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.444 |
| InChI Key: | MFGMFSKLDNJQCZ-UHFFFAOYSA-N |