N-[1-(2,5-difluorophenyl)cyclopropyl]oxane-2-carboxamide

• ChemBase ID: 683190
• Molecular Formular: C15H17F2NO2
• Molecular Mass: 281.2977864
• Monoisotopic Mass: 281.12273523
• SMILES: C1(c2c(ccc(c2)F)F)(NC(=O)C2OCCCC2)CC1
• Canonical SMILES: O=C(C1CCCCO1)NC1(CC1)c1cc(F)ccc1F
• InChI: InChI=1S/C15H17F2NO2/c16-10-4-5-12(17)11(9-10)15(6-7-15)18-14(19)13-3-1-2-8-20-13/h4-5,9,13H,1-3,6-8H2,(H,18,19)
• InChIKey: PKRZSISYEUDQPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,5-difluorophenyl)cyclopropyl]oxane-2-carboxamide
• IUPAC Traditional name: N-[1-(2,5-difluorophenyl)cyclopropyl]oxane-2-carboxamide
• Synonyms: N-[1-(2,5-difluorophenyl)cyclopropyl]tetrahydro-2H-pyran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.454852
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4807985
• LogD (pH = 7.4): 2.4807649
• Log P: 2.480799
• Molar Refractivity: 69.8495 cm^3
• Polarizability: 26.76494 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.23
• LOG S: -3.16
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3