Basic information
- Standard SMILES
CCC(NC(=O)c1ccc(Cl)cc1)n1nnc2ccccc21- InChIKey
WKTVFJJDJBEIHE-UHFFFAOYSA-N- Molecular formula
- C16H15ClN4O
- Average molar mass
- 314.77 g/mol
Names & identifiers
- Preferred name
- N-[1-(1H-1,2,3-benzotriazol-1-yl)propyl]-4-chlorobenzamide
- IUPAC
- N-[1-(benzotriazol-1-yl)propyl]-4-chlorobenzamide
Names & synonyms
SCHEMBL4679720WKTVFJJDJBEIHE-UHFFFAOYSA-NN-[1-(1H-1,2,3-benzotriazol-1-yl)propyl]-4-chlorobenzamide
Database identifiers
- PubChem CID
- 18770656
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 386
Related reactions
2 records
Compound notes
Loading…