Basic information
- Standard SMILES
CC(C)C(C)(C#N)NC(=O)C(Br)CBr- InChIKey
NDNZUINIJYUBJV-UHFFFAOYSA-N- Molecular formula
- C9H14Br2N2O
- Average molar mass
- 326.03 g/mol
- Monoisotopic mass
- 323.94729
Names & identifiers
- Preferred name
- N-(1-cyano-1,2-dimethylpropyl)-2,3-Dibromopropionamide
- IUPAC
- 2,3-dibromo-N-(2-cyano-3-methylbutan-2-yl)propanamide
Names & synonyms
SCHEMBL11256255NDNZUINIJYUBJV-UHFFFAOYSA-NN-(1-cyano-1,2-dimethylpropyl)-2,3-Dibromopropionamide
Database identifiers
- PubChem CID
- 12945446
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Related reactions
3 records
Compound notes
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