5-chloro-1-(propan-2-yl)-2,3-dihydro-1H-indole-2,3-dione

• ChemBase ID: 123982
• Molecular Formular: C11H10ClNO2
• Molecular Mass: 223.6556
• Monoisotopic Mass: 223.04000625
• SMILES: C1(=O)N(c2c(C1=O)cc(cc2)Cl)C(C)C
• Canonical SMILES: Clc1ccc2c(c1)C(=O)C(=O)N2C(C)C
• InChI: InChI=1S/C11H10ClNO2/c1-6(2)13-9-4-3-7(12)5-8(9)10(14)11(13)15/h3-6H,1-2H3
• InChIKey: VJDOXIIBOHFSTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-1-(propan-2-yl)-2,3-dihydro-1H-indole-2,3-dione
• IUPAC Traditional name: 5-chloro-1-isopropylindole-2,3-dione
• Synonyms: 5-chloro-1-isopropylindoline-2,3-dione

Database IDs

• PubChem SID: 162218335
• PubChem CID: 4736866

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1930373
• LogD (pH = 7.4): 2.1930373
• Log P: 2.1930373
• Molar Refractivity: 57.5631 cm^3
• Polarizability: 21.953274 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true