2-(2-Aminoethyl)-3-(4-chlorophenyl)-3-hydroxy-1-isoindolinone
Basic information
- CAS
5983-84-6- Standard SMILES
NCCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1- InChIKey
KJJNDJAXTRLOOD-UHFFFAOYSA-N- Molecular formula
- C16H15ClN2O2
- Average molar mass
- 302.75 g/mol
- Monoisotopic mass
- 302.0822054
Names & identifiers
- Preferred name
- 2-(2-Aminoethyl)-3-(4-chlorophenyl)-3-hydroxy-1-isoindolinone
- IUPAC
- 2-(2-aminoethyl)-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one
Names & synonyms
NSC3200005983-84-6MLS003115991CHEMBL186039NCI-320000NSC-320000SCHEMBL2548886DTXSID903177352-(2-aminoethyl)-3-(4-chlorophenyl)-3-hydroxy-1-isoindolinoneBDBM501544682-(2-aminoethyl)-3-(4-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-isoindol-1-oneNCI60_002764
Show more names
PD150729SMR0018315492-(2-Amino-ethyl)-3-(4-chloro-phenyl)-3-hydroxy-2,3-dihydro-isoindol-1-one
Database identifiers
- CAS
5983-84-6- PubChem CID
- 330747
- DTXSID
DTXSID90317735- ChEMBL
CHEMBL186039- Nikkaji
- J1.641.100K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
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Related reactions
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Compound notes
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