Basic information
- Standard SMILES
CCCCC(Cn1cncn1)(C(N)=O)c1ccc(Cl)cc1- InChIKey
QVVKHVGNXJQNGZ-UHFFFAOYSA-N- Molecular formula
- C15H19ClN4O
- Average molar mass
- 306.79 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]hexanamide
- IUPAC
- 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanamide
Names & synonyms
SCHEMBL8919816QVVKHVGNXJQNGZ-UHFFFAOYSA-N2-(4-chlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]hexanamide2-(4-chlorophenyl )-2-[(1,2,4-triazol-1-yl)methyl]hexanamide2-(4-chlorophenyl)-2-[(1,2,4-triazol-1-yl )methyl]hexanamide2-(4-chlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]hexanoamide
Database identifiers
- PubChem CID
- 19956956
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Related reactions
9 records
Compound notes
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