N-[1-(cyanomethyl-carbamoyl)-cyclohexyl]-4-bromomethyl-benzamide
Basic information
- Standard SMILES
N#CCNC(=O)C1(NC(=O)c2ccc(CBr)cc2)CCCCC1- InChIKey
ZSFDFIAXHSZLPV-UHFFFAOYSA-N- Molecular formula
- C17H20BrN3O2
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 377.07389
Names & identifiers
- Preferred name
- N-[1-(cyanomethyl-carbamoyl)-cyclohexyl]-4-bromomethyl-benzamide
- IUPAC
- 4-(bromomethyl)-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide
Names & synonyms
SCHEMBL2918750ZSFDFIAXHSZLPV-UHFFFAOYSA-NN-[1-(cyanomethyl-carbamoyl)-cyclohexyl]-4-bromomethyl-benzamide
Database identifiers
- PubChem CID
- 18316675
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 471
Related reactions
1 records
Compound notes
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