2-{[1-(2-fluorophenyl)cyclopropyl]formamido}-N-(propan-2-yl)acetamide

• ChemBase ID: 734764
• Molecular Formular: C15H19FN2O2
• Molecular Mass: 278.3219632
• Monoisotopic Mass: 278.14305608
• SMILES: C1(CC1)(C(=O)NCC(=O)NC(C)C)c1c(F)cccc1
• Canonical SMILES: CC(NC(=O)CNC(=O)C1(CC1)c1ccccc1F)C
• InChI: InChI=1S/C15H19FN2O2/c1-10(2)18-13(19)9-17-14(20)15(7-8-15)11-5-3-4-6-12(11)16/h3-6,10H,7-9H2,1-2H3,(H,17,20)(H,18,19)
• InChIKey: SVAYEWXMFOKSSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[1-(2-fluorophenyl)cyclopropyl]formamido}-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-{[1-(2-fluorophenyl)cyclopropyl]formamido}-N-isopropylacetamide
• Synonyms: 1-(2-fluorophenyl)-N-[2-(isopropylamino)-2-oxoethyl]cyclopropanecarboxamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.827719
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4738038
• LogD (pH = 7.4): 1.4737896
• Log P: 1.4738039
• Molar Refractivity: 73.5451 cm^3
• Polarizability: 28.279778 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.42
• LOG S: -2.44
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5