Basic information
- CAS
882648-33-1- Standard SMILES
CC(Oc1ccc(Cl)cc1Br)C(=O)NCc1ccccc1- InChIKey
CNYQERGGVULWAN-UHFFFAOYSA-N- Molecular formula
- C16H15BrClNO2
- Average molar mass
- 368.7 g/mol
Names & identifiers
- Preferred name
- N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
- IUPAC
- N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
- English name
- N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
- Molecular formula
- C16H15BrClNO2
- Molecular weight
- 368.65
Names & synonyms
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide882648-33-1STK241049AKOS000500351AKOS017028574ST450490432-(2-bromo-4-chlorophenoxy)-N-benzylpropanamideAN-329/43385716Propanamide, 2-(2-bromo-4-chlorophenoxy)-N-(phenylmethyl)-
Database identifiers
- CAS
882648-33-1
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 531.3 · 531.3±50.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- pka
- 14.58 · 14.58±0.46(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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