N-[3-(cyclopentyloxy)propyl]-3-(5-fluoro-1H-1,3-benzodiazol-2-yl)propanamide

• ChemBase ID: 549237
• Molecular Formular: C18H24FN3O2
• Molecular Mass: 333.4004632
• Monoisotopic Mass: 333.18525524
• SMILES: n1c([nH]c2c1cc(cc2)F)CCC(=O)NCCCOC1CCCC1
• Canonical SMILES: O=C(CCc1nc2c([nH]1)ccc(c2)F)NCCCOC1CCCC1
• InChI: InChI=1S/C18H24FN3O2/c19-13-6-7-15-16(12-13)22-17(21-15)8-9-18(23)20-10-3-11-24-14-4-1-2-5-14/h6-7,12,14H,1-5,8-11H2,(H,20,23)(H,21,22)
• InChIKey: VLQZOBYJSOWAHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-3-(5-fluoro-1H-1,3-benzodiazol-2-yl)propanamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-3-(5-fluoro-1H-1,3-benzodiazol-2-yl)propanamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-3-(5-fluoro-1H-benzimidazol-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.900632
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8973714
• LogD (pH = 7.4): 2.1304746
• Log P: 2.134553
• Molar Refractivity: 89.5599 cm^3
• Polarizability: 35.726933 Å^3
• Polar Surface Area: 67.01 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.57
• LOG S: -3.83
• Polar Surface Area: 67.01 Å^2
• Rotatable Bonds: 8