Basic information
- Standard SMILES
Cc1ccc(C(=O)NCCCC#N)cc1Br- InChIKey
YGOWIXFIGOIGKM-UHFFFAOYSA-N- Molecular formula
- C12H13BrN2O
- Average molar mass
- 281.15 g/mol
Names & identifiers
- Preferred name
- n-(3-Cyanopropyl)-(3'-bromo-4'-methylphenyl)carboxamide
- IUPAC
- 3-bromo-N-(3-cyanopropyl)-4-methylbenzamide
Names & synonyms
SCHEMBL6619861YGOWIXFIGOIGKM-UHFFFAOYSA-NAKOS020049791n-(3-cyanopropyl)-(3'-bromo-4'-methylphenyl)carboxamide
Database identifiers
- PubChem CID
- 19688418
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
1 records
Compound notes
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