Basic information
- CAS
13466-98-3- Standard SMILES
CN(CN1C(=O)c2ccccc2C1=O)c1ccccc1- InChIKey
XPBWNYMBAPVBKW-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- 2-{[Methyl(phenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[(N-methylanilino)methyl]isoindole-1,3-dione
Names & synonyms
13466-98-3DTXSID404953902-{[Methyl(phenyl)amino]methyl}-1H-isoindole-1,3(2H)-dioneAKOS002987126
Database identifiers
- CAS
13466-98-3- PubChem CID
- 12379811
- DTXSID
DTXSID40495390- Nikkaji
- J3.124.667I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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