N-[4-(difluoromethoxy)phenyl]-3-(3-ethylphenoxy)azetidine-1-carboxamide

• ChemBase ID: 600523
• Molecular Formular: C19H20F2N2O3
• Molecular Mass: 362.3705064
• Monoisotopic Mass: 362.14419895
• SMILES: N1(C(=O)Nc2ccc(OC(F)F)cc2)CC(C1)Oc1cc(ccc1)CC
• Canonical SMILES: CCc1cccc(c1)OC1CN(C1)C(=O)Nc1ccc(cc1)OC(F)F
• InChI: InChI=1S/C19H20F2N2O3/c1-2-13-4-3-5-16(10-13)25-17-11-23(12-17)19(24)22-14-6-8-15(9-7-14)26-18(20)21/h3-10,17-18H,2,11-12H2,1H3,(H,22,24)
• InChIKey: DOFRRYQWNVMGCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(difluoromethoxy)phenyl]-3-(3-ethylphenoxy)azetidine-1-carboxamide
• IUPAC Traditional name: N-[4-(difluoromethoxy)phenyl]-3-(3-ethylphenoxy)azetidine-1-carboxamide
• Synonyms: N-[4-(difluoromethoxy)phenyl]-3-(3-ethylphenoxy)azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.812244
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.5841317
• LogD (pH = 7.4): 4.5841312
• Log P: 4.5841317
• Molar Refractivity: 93.7588 cm^3
• Polarizability: 35.16871 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.21
• LOG S: -4.58
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6