2-(2-oxo-3-phenyl-2,3-dihydro-1H-indol-1-yl)acetamide

• ChemBase ID: 127184
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: c1ccc(cc1)C1c2ccccc2N(C1=O)CC(=O)N
• Canonical SMILES: NC(=O)CN1C(=O)C(c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C16H14N2O2/c17-14(19)10-18-13-9-5-4-8-12(13)15(16(18)20)11-6-2-1-3-7-11/h1-9,15H,10H2,(H2,17,19)
• InChIKey: MVZYGLQQNPFARE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxo-3-phenyl-2,3-dihydro-1H-indol-1-yl)acetamide
• IUPAC Traditional name: doliracetam
• Synonyms: Doliracetam

Database IDs

• CAS Number: 84901-45-1
• PubChem SID: 162221506
• PubChem CID: 208851
• Unique Ingredient Identifier: N70177JQTB
• Wikipedia Title: Doliracetam

CALCULATED PROPERTIES

• Acid pKa: 14.080469
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2839472
• LogD (pH = 7.4): 1.2839471
• Log P: 1.2839472
• Molar Refractivity: 75.2771 cm^3
• Polarizability: 28.95462 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Unscheduled