Basic information
- Standard SMILES
CC(Cl)(Cl)C(NC(=O)c1ccc(Br)cc1)n1nnc2ccccc21- InChIKey
LFLNKKVTTTWDHW-UHFFFAOYSA-N- Molecular formula
- C16H13BrCl2N4O
- Average molar mass
- 428.1 g/mol
Names & identifiers
- Preferred name
- N-[1-(1H-1,2,3-benzotriazol-1-yl)-2,2-dichloropropyl]-4-bromobenzamide
- IUPAC
- N-[1-(benzotriazol-1-yl)-2,2-dichloropropyl]-4-bromobenzamide
Names & synonyms
SCHEMBL4677849LFLNKKVTTTWDHW-UHFFFAOYSA-NN-[1-(1H-1,2,3-benzotriazol-1-yl)-2,2-dichloropropyl]-4-bromobenzamide
Database identifiers
- PubChem CID
- 18770541
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 459
Related reactions
2 records
Compound notes
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