3-[(4-bromophenoxy)methyl]-N-[1-(4-tert-butylphenyl)ethyl]benzamide
Basic information
- CAS
512825-18-2- Standard SMILES
CC(NC(=O)c1cccc(COc2ccc(Br)cc2)c1)c1ccc(C(C)(C)C)cc1- InChIKey
FBZYGWKWLJSWLH-UHFFFAOYSA-N- Molecular formula
- C26H28BrNO2
- Average molar mass
- 466.4 g/mol
- Monoisotopic mass
- 465.13034
Names & identifiers
- Preferred name
- 3-[(4-bromophenoxy)methyl]-N-[1-(4-tert-butylphenyl)ethyl]benzamide
- IUPAC
- 3-[(4-bromophenoxy)methyl]-N-[1-(4-tert-butylphenyl)ethyl]benzamide
- English name
- 3-[(4-bromophenoxy)methyl]-N-[1-(4-tert-butylphenyl)ethyl]benzamide
- Molecular formula
- C26H28BrNO2
- Molecular weight
- 466.41
Names & synonyms
3-[(4-bromophenoxy)methyl]-N-[1-(4-tert-butylphenyl)ethyl]benzamideAK-968/41923351STL176271AKOS003790620512825-18-2Benzamide, 3-[(4-bromophenoxy)methyl]-N-[1-[4-(1,1-dimethylethyl)phenyl]ethyl]-
Database identifiers
- CAS
512825-18-2- PubChem CID
- 4395913
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- Boiling point
- 586.9 · 586.9±50.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 13.95 · 13.95±0.46(Predicted)
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Compound notes
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