3-amino-4-bromo-N-(2,3-dimethylbutyl)benzamide
Basic information
- CAS
1379186-05-6- Standard SMILES
CC(C)C(C)CNC(=O)c1ccc(Br)c(N)c1- InChIKey
ZULJXYVUMHCEST-UHFFFAOYSA-N- Molecular formula
- C13H19BrN2O
- Average molar mass
- 299.21 g/mol
- Monoisotopic mass
- 298.06808
Names & identifiers
- Preferred name
- 3-amino-4-bromo-N-(2,3-dimethylbutyl)benzamide
- IUPAC
- 3-amino-4-bromo-N-(2,3-dimethylbutyl)benzamide
Names & synonyms
DTXSID901233697AKOS0138938143-amino-4-bromo-N-(2,3-dimethylbutyl)benzamideBenzamide, 3-amino-4-bromo-N-(2,3-dimethylbutyl)-1379186-05-6
Database identifiers
- CAS
1379186-05-6- PubChem CID
- 64568596
- DTXSID
DTXSID901233697
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
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Compound notes
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