Basic information
- Standard SMILES
CN(C)Cc1ccccc1C1(c2ccc(Cl)cc2)OC(=O)c2ccccc21- InChIKey
ZCAXSTBCPTVYBA-UHFFFAOYSA-N- Molecular formula
- C23H20ClNO2
- Average molar mass
- 377.9 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-3-(2-dimethylaminomethyl phenyl) phthalide
- IUPAC
- 3-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]phenyl]-2-benzofuran-1-one
Names & synonyms
SCHEMBL11813617ZCAXSTBCPTVYBA-UHFFFAOYSA-N3-(4-chlorophenyl)-3-(2-dimethylaminomethyl phenyl) phthalide
Database identifiers
- PubChem CID
- 54539385
- Nikkaji
- J692.084E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Related reactions
1 records
Compound notes
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