Basic information
- Standard SMILES
Cn1c(C(=O)NC2CCCCC2C(=O)NCC#N)cc2ccc(Cl)cc21- InChIKey
VTXDNOCBJJIOBC-UHFFFAOYSA-N- Molecular formula
- C19H21ClN4O2
- Average molar mass
- 372.8 g/mol
- Monoisotopic mass
- 372.1353036
Names & identifiers
- Preferred name
- 6-Chloro-1-methyl-1H-indole-2-carboxylic acid [2-(cyanomethyl-carbamoyl)-cyclohexyl]-amide
- IUPAC
- 6-chloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
Names & synonyms
VTXDNOCBJJIOBC-UHFFFAOYSA-N6-Chloro-1-methyl-1H-indole-2-carboxylic acid [2-(cyanomethyl-carbamoyl)-cyclohexyl]-amide
Database identifiers
- PubChem CID
- 20740323
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 589
Related reactions
2 records
Compound notes
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