Basic information
- Standard SMILES
CC#CC(=O)c1cc(-c2cccc(Cl)c2)ccc1N- InChIKey
ZQDRGAYEWFJADQ-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO
- Average molar mass
- 269.72 g/mol
Names & identifiers
- Preferred name
- (4-Amino-3'-chloro-biphenyl-3-yl)-propynyl-methanone
- IUPAC
- 1-[2-amino-5-(3-chlorophenyl)phenyl]but-2-yn-1-one
Names & synonyms
SCHEMBL4360086ZQDRGAYEWFJADQ-UHFFFAOYSA-N(4-amino-3'-chloro-biphenyl-3-yl)-propynyl-methanone(4-amino-3'-chloro-biphenyl-3-yl) -propynyl-methanone
Database identifiers
- PubChem CID
- 23509596
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Related reactions
5 records
Compound notes
Loading…