Basic information
- CAS
80336-48-7- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)Nc1ccc(C(=O)CC(=O)Nc2ccccc2Cl)cc1- InChIKey
LRBDKMFADNYGMA-UHFFFAOYSA-N- Molecular formula
- C33H45ClN2O3
- Average molar mass
- 553.2 g/mol
Names & identifiers
- Preferred name
- N-[4-[3-(2-chloroanilino)-3-oxopropanoyl]phenyl]octadec-9-enamide
- IUPAC
- N-[4-[3-(2-chloroanilino)-3-oxopropanoyl]phenyl]octadec-9-enamide
- English name
- alpha-(4-Octadecanylamino)-benzoyl-N-(2-chlorphenyl)-acetamide
- Molecular formula
- C33H45ClN2O3
- Molecular weight
- 553.18
Names & synonyms
alpha-(4-Octadecanylamino)-benzoyl-N-(2-chlorphenyl)-acetamide
Database identifiers
- CAS
80336-48-7
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 20
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 718
Physicochemical properties
- Boiling point
- 751.38 · 751.380±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.281 · 10.281±0.25(predicted)
Chemistry & industry
Suppliers1 total
HWSANDS-OLED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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