Basic information
- Standard SMILES
CC1(Cc2ccccc2)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21- InChIKey
VJEWIKPUMZOACV-UHFFFAOYSA-N- Molecular formula
- C22H18ClNO
- Average molar mass
- 347.8 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-5-(3-chloro-phenyl)-3-methyl-1,3-dihydro-indol-2-one
- IUPAC
- 3-benzyl-5-(3-chlorophenyl)-3-methyl-1H-indol-2-one
Names & synonyms
CHEMBL1159033-Benzyl-5-(3-chloro-phenyl)-3-methyl-1,3-dihydro-indol-2-oneSCHEMBL6013854VJEWIKPUMZOACV-UHFFFAOYSA-NBDBM50121175
Database identifiers
- PubChem CID
- 21986274
- ChEMBL
CHEMBL115903- Nikkaji
- J1.826.858B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Related reactions
7 records
Compound notes
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