N-(3-Bromophenyl)-2-cyano-3-methylhexanamide
Basic information
- CAS
110234-17-8- Standard SMILES
CCCC(C)C(C#N)C(=O)Nc1cccc(Br)c1- InChIKey
XYHBQSXZDMMWLF-UHFFFAOYSA-N- Molecular formula
- C14H17BrN2O
- Average molar mass
- 309.2 g/mol
- Monoisotopic mass
- 308.05243
Names & identifiers
- Preferred name
- N-(3-Bromophenyl)-2-cyano-3-methylhexanamide
- IUPAC
- N-(3-bromophenyl)-2-cyano-3-methylhexanamide
Names & synonyms
110234-17-8N-(3-BROMOPHENYL)-2-CYANO-3-METHYLHEXANAMIDEDTXSID40552891
Database identifiers
- CAS
110234-17-8- PubChem CID
- 13937293
- DTXSID
DTXSID40552891
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
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Compound notes
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