HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-[4-[3-(2-chloroanilino)-3-oxopropanoyl]phenyl]octadec-9-enamide
alpha-(4-Octadecanylamino)-benzoyl-N-(2-chlorphenyl)-acetamide
![N-[4-[3-(2-chloroanilino)-3-oxopropanoyl]phenyl]octadec-9-enamide molecular structure](/img/chemical/178804792.png)
Identifiers & Physical Properties
| CAS No. | 80336-48-7 |
|---|---|
| Molecular formula | C33H45ClN2O3 |
| Average molar mass | 553.2 g/mol |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)Nc1ccc(C(=O)CC(=O)Nc2ccccc2Cl)cc1 |
| InChIKey | LRBDKMFADNYGMA-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 10.4 |
|---|---|
| Topological polar surface area | 75.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 20 |
| Heavy atoms | 39 |
| Formal charge | 0 |
| Complexity | 718 |
| Boiling point | 751.380±60.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.104±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 10.281±0.25(predicted) |