N-(3-cyclopentylpropyl)-N'-(2-fluoro-5-methylphenyl)butanediamide

• ChemBase ID: 661271
• Molecular Formular: C19H27FN2O2
• Molecular Mass: 334.4282832
• Monoisotopic Mass: 334.20565633
• SMILES: c1(NC(=O)CCC(=O)NCCCC2CCCC2)c(ccc(c1)C)F
• Canonical SMILES: O=C(NCCCC1CCCC1)CCC(=O)Nc1cc(C)ccc1F
• InChI: InChI=1S/C19H27FN2O2/c1-14-8-9-16(20)17(13-14)22-19(24)11-10-18(23)21-12-4-7-15-5-2-3-6-15/h8-9,13,15H,2-7,10-12H2,1H3,(H,21,23)(H,22,24)
• InChIKey: JIEDSGUDVVFTMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-cyclopentylpropyl)-N'-(2-fluoro-5-methylphenyl)butanediamide
• IUPAC Traditional name: N-(3-cyclopentylpropyl)-N'-(2-fluoro-5-methylphenyl)succinamide
• Synonyms: N-(3-cyclopentylpropyl)-N'-(2-fluoro-5-methylphenyl)succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.958465
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5895736
• LogD (pH = 7.4): 3.5895624
• Log P: 3.5895739
• Molar Refractivity: 94.2138 cm^3
• Polarizability: 35.53527 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.94
• LOG S: -5.0
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 8