HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-chloro-1-(3,4-dichlorobenzyl)-N-[2-(dimethylamino)ethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide
5-Chloro-1-(3,4-dichlorobenzyl)-N-[2-(dimethylamino)ethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide · 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide · 3-Pyridinecarboxamide, 5-chloro-1-[(3,4-dichlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1,2-dihydro-2-oxo-
![5-chloro-1-(3,4-dichlorobenzyl)-N-[2-(dimethylamino)ethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide molecular structure](/img/chemical/178928362.png)
Identifiers & Physical Properties
| CAS No. | 338981-08-1 |
|---|---|
| Molecular formula | C17H18Cl3N3O2 |
| Average molar mass | 402.7 g/mol |
| SMILES | CN(C)CCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O |
| InChIKey | PPHWTCBHCKVMSC-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 52.7 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 577 |
| Boiling point | 565.2±50.0 °C(Predicted) |
| Density | 1.40±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.72±0.20(Predicted) |