Basic information
- Standard SMILES
CC(C#N)(Cn1nc2cccc(Cl)c2n1)NC(=O)c1ccc(Oc2ccccc2)cc1- InChIKey
FDUHBYJXKBRARL-UHFFFAOYSA-N- Molecular formula
- C23H18ClN5O2
- Average molar mass
- 431.9 g/mol
Names & identifiers
- Preferred name
- N-[2-(4-Chloro-2H-benzotriazol-2-yl)-1-cyano-1-methylethyl]-4-phenoxybenzamide
- IUPAC
- N-[1-(4-chlorobenzotriazol-2-yl)-2-cyanopropan-2-yl]-4-phenoxybenzamide
Names & synonyms
SCHEMBL204750FDUHBYJXKBRARL-UHFFFAOYSA-NN-[2-(4-Chloro-2H-benzotriazol-2-yl)-1-cyano-1-methylethyl]-4-phenoxybenzamide
Database identifiers
- PubChem CID
- 66620748
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 670
Related reactions
5 records
Compound notes
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