3-(cyclopropylmethyl)-1-(2,6-difluorophenyl)-3-(2-methoxyethyl)urea

• ChemBase ID: 748101
• Molecular Formular: C14H18F2N2O2
• Molecular Mass: 284.3017264
• Monoisotopic Mass: 284.13363427
• SMILES: C(=O)(Nc1c(F)cccc1F)N(CC1CC1)CCOC
• Canonical SMILES: COCCN(C(=O)Nc1c(F)cccc1F)CC1CC1
• InChI: InChI=1S/C14H18F2N2O2/c1-20-8-7-18(9-10-5-6-10)14(19)17-13-11(15)3-2-4-12(13)16/h2-4,10H,5-9H2,1H3,(H,17,19)
• InChIKey: FKPFMRMEWNFAGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopropylmethyl)-1-(2,6-difluorophenyl)-3-(2-methoxyethyl)urea
• IUPAC Traditional name: 3-(cyclopropylmethyl)-1-(2,6-difluorophenyl)-3-(2-methoxyethyl)urea
• Synonyms: N-(cyclopropylmethyl)-N'-(2,6-difluorophenyl)-N-(2-methoxyethyl)urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.303478
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.343762
• LogD (pH = 7.4): 2.3432534
• Log P: 2.3437684
• Molar Refractivity: 72.8094 cm^3
• Polarizability: 26.80576 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.86
• LOG S: -2.86
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6