HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-chloro-N-[4-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]benzamide
2-chloro-N-{4-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl}benzamide · Benzamide, 2-chloro-N-[4-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]-
![2-chloro-N-[4-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]benzamide molecular structure](/img/chemical/178819829.png)
Identifiers & Physical Properties
| CAS No. | 700857-81-4 |
|---|---|
| Molecular formula | C23H20ClNO3 |
| Average molar mass | 393.9 g/mol |
| SMILES | Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1C |
| InChIKey | ZDECKDUKCKEVJL-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 5.5 |
|---|---|
| Topological polar surface area | 55.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 532 |
| Boiling point | 515.9±50.0 °C(Predicted) |
| Density | 1.259±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.16±0.70(Predicted) |