HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-[(1Z)-2-Chloro-1-[(diethylamino)carbonyl]-2-phenylethenyl]benzamide
N-(2-Chloro-1-diethylcarbamoyl-2-phenyl-vinyl)-benzamide · Benzamide, N-[(1Z)-2-chloro-1-[(diethylamino)carbonyl]-2-phenylethenyl]-
![N-[(1Z)-2-Chloro-1-[(diethylamino)carbonyl]-2-phenylethenyl]benzamide molecular structure](/img/chemical/5794635.png)
Identifiers & Physical Properties
| CAS No. | 265977-74-0 |
|---|---|
| Molecular formula | C20H21ClN2O2 |
| Average molar mass | 356.8 g/mol |
| Monoisotopic mass | 356.1291556 g/mol |
| SMILES | CCN(CC)C(=O)/C(NC(=O)c1ccccc1)=C(/Cl)c1ccccc1 |
| InChIKey | BXWKSHMWRTWJGG-ZCXUNETKSA-N |
| PubChem CID | 5794635 |
| DTXSID | DTXSID301156160 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 49.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 6 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 488 |
| Boiling point | 553.060±50.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.189±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 9.285±0.46(predicted) |