HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(3,4-dichlorobenzyl)-N,N-diethyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
1-(3,4-Dichlorobenzyl)-N,N-diethyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide · 1-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-6-oxo-1,6-dihydropyridine-3-carboxamide · 3-Pyridinecarboxamide, 1-[(3,4-dichlorophenyl)methyl]-N,N-diethyl-1,6-dihydro-6-oxo-
Identifiers & Physical Properties
| CAS No. | 338781-30-9 |
|---|---|
| Molecular formula | C17H18Cl2N2O2 |
| Average molar mass | 353.2 g/mol |
| SMILES | CCN(CC)C(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 |
| InChIKey | WGLWPBUCOKQHOT-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 40.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 5 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 515 |
| Boiling point | 539.5±50.0 °C(Predicted) |
| Density | 1.314±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | -1.13±0.20(Predicted) |