Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)N1CCCc1ccc(Cl)cc1- InChIKey
LQQWLNCZSIDJEC-UHFFFAOYSA-N- Molecular formula
- C17H14ClNO2
- Average molar mass
- 299.7 g/mol
- Monoisotopic mass
- 299.0713064
Names & identifiers
- Preferred name
- 2-[3-(4-chlorophenyl)propyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[3-(4-chlorophenyl)propyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL5422820LQQWLNCZSIDJEC-UHFFFAOYSA-N2-[3-(4-chlorophenyl)propyl]-1H-isoindole-1,3(2H)-dione
Database identifiers
- PubChem CID
- 17848907
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Related reactions
2 records
Compound notes
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