Basic information
- Standard SMILES
O=C1CCC(N2Cc3cc(CNC(=O)Nc4ccccc4Cl)ccc3C2=O)C(=O)N1- InChIKey
XLLJOANDXFNPPG-UHFFFAOYSA-N- Molecular formula
- C21H19ClN4O4
- Average molar mass
- 426.9 g/mol
Names & identifiers
- Preferred name
- 1-(2-Chloro-phenyl)-3-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-ylmethyl]-urea
- IUPAC
- 1-(2-chlorophenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
Names & synonyms
SCHEMBL1413649CHEMBL4228997XLLJOANDXFNPPG-UHFFFAOYSA-N1-(2-chloro-phenyl)-3-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-ylmethyl]-urea
Database identifiers
- PubChem CID
- 44538827
- ChEMBL
CHEMBL4228997
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 717
Related reactions
2 records
Compound notes
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