N-(2,3-dihydro-1H-inden-2-yl)-2,4-difluoro-3-methoxy-N-methylbenzamide

• ChemBase ID: 775282
• Molecular Formular: C18H17F2NO2
• Molecular Mass: 317.3298864
• Monoisotopic Mass: 317.12273523
• SMILES: c1(C(=O)N(C2Cc3c(C2)cccc3)C)c(c(c(cc1)F)OC)F
• Canonical SMILES: COc1c(F)ccc(c1F)C(=O)N(C1Cc2c(C1)cccc2)C
• InChI: InChI=1S/C18H17F2NO2/c1-21(13-9-11-5-3-4-6-12(11)10-13)18(22)14-7-8-15(19)17(23-2)16(14)20/h3-8,13H,9-10H2,1-2H3
• InChIKey: HEFVKHMOWBNWTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-2,4-difluoro-3-methoxy-N-methylbenzamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-2,4-difluoro-3-methoxy-N-methylbenzamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-2,4-difluoro-3-methoxy-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5117607
• LogD (pH = 7.4): 3.5117607
• Log P: 3.5117607
• Molar Refractivity: 84.1732 cm^3
• Polarizability: 31.2737 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.1
• LOG S: -4.16
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3