2-Amino-3-[4-(dimethylamino)phenyl]-3-phenyl-2,3-dihydro-1H-isoindol-1-one
Basic information
- CAS
76918-80-4- Standard SMILES
CN(C)c1ccc(C2(c3ccccc3)c3ccccc3C(=O)N2N)cc1- InChIKey
QQCRBSMFUGKLQE-UHFFFAOYSA-N- Molecular formula
- C22H21N3O
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.1684623
Names & identifiers
- Preferred name
- 2-Amino-3-[4-(dimethylamino)phenyl]-3-phenyl-2,3-dihydro-1H-isoindol-1-one
- IUPAC
- 2-amino-3-[4-(dimethylamino)phenyl]-3-phenylisoindol-1-one
Names & synonyms
76918-80-4NSC349457DTXSID503196942-Amino-3-[4-(dimethylamino)phenyl]-3-phenyl-2,3-dihydro-1H-isoindol-1-oneNSC-349457DS-0086992-amino-3-(4-dimethylaminophenyl)-3-phenyl-isoindol-1-one
Database identifiers
- CAS
76918-80-4- PubChem CID
- 336189
- DTXSID
DTXSID50319694
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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