2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide

• ChemBase ID: 654526
• Molecular Formular: C18H18FNO
• Molecular Mass: 283.3400232
• Monoisotopic Mass: 283.13724242
• SMILES: C1(c2c(CC1)cccc2)CC(=O)NCc1c(F)cccc1
• Canonical SMILES: O=C(CC1CCc2c1cccc2)NCc1ccccc1F
• InChI: InChI=1S/C18H18FNO/c19-17-8-4-2-6-15(17)12-20-18(21)11-14-10-9-13-5-1-3-7-16(13)14/h1-8,14H,9-12H2,(H,20,21)
• InChIKey: HMHCLFQEWXRCSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-fluorobenzyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.981711
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6761858
• LogD (pH = 7.4): 3.6761858
• Log P: 3.6761858
• Molar Refractivity: 81.3021 cm^3
• Polarizability: 31.01644 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.49
• LOG S: -4.25
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4