2-Bromo-3,3-dimethyl-N-phenylbutanamide
Basic information
- CAS
5344-87-6- Standard SMILES
CC(C)(C)C(Br)C(=O)Nc1ccccc1- InChIKey
FCBRNMLTKNGVTL-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO
- Average molar mass
- 270.17 g/mol
- Monoisotopic mass
- 269.04153
Names & identifiers
- Preferred name
- 2-Bromo-3,3-dimethyl-N-phenylbutanamide
- IUPAC
- 2-bromo-3,3-dimethyl-N-phenylbutanamide
Names & synonyms
2-Bromo-3,3-dimethyl-N-phenylbutanamide5344-87-6LC9S59Z9BVCCRIS 1826NSC 1170NSC-1170UNII-LC9S59Z9BVButanamide, 2-bromo-3,3-dimethyl-N-phenyl-RefChem:856522-BROMO-3,3-DIMETHYLBUTYRANILIDESCHEMBL27922300NSC1170
Show more names
DTXSID501023341Q27282914
Database identifiers
- CAS
5344-87-6- PubChem CID
- 95312
- DTXSID
DTXSID501023341- UNII
- LC9S59Z9BV
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
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Related reactions
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Compound notes
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