2-(naphthalen-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 106813
• Molecular Formular: C18H11NO2
• Molecular Mass: 273.28544
• Monoisotopic Mass: 273.0789786
• SMILES: O=C1N(C(=O)c2ccccc12)c1ccc2ccccc2c1
• Canonical SMILES: O=C1N(c2ccc3c(c2)cccc3)C(=O)c2c1cccc2
• InChI: InChI=1S/C18H11NO2/c20-17-15-7-3-4-8-16(15)18(21)19(17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
• InChIKey: SWZVZDHOTBBAPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: 2-(naphthalen-2-yl)isoindole-1,3-dione
• Synonyms: N-(β-NAPHTHYL)PHTHALIMIDE

Database IDs

• CAS Number: 5324-19-6
• PubChem SID: 162087332
• PubChem CID: 220219

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5645342
• LogD (pH = 7.4): 3.5645344
• Log P: 3.5645344
• Molar Refractivity: 80.4393 cm^3
• Polarizability: 31.630667 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201515

MP Biomedicals Rare Chemical collection