N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide

• ChemBase ID: 591535
• Molecular Formular: C14H16F4N2O2
• Molecular Mass: 320.2826528
• Monoisotopic Mass: 320.11479064
• SMILES: C(Oc1c(C(=O)N[C@H]2C[C@H](N)CC2)cccc1)(C(F)F)(F)F
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1ccccc1OC(C(F)F)(F)F
• InChI: InChI=1S/C14H16F4N2O2/c15-13(16)14(17,18)22-11-4-2-1-3-10(11)12(21)20-9-6-5-8(19)7-9/h1-4,8-9,13H,5-7,19H2,(H,20,21)/t8-,9-/m1/s1
• InChIKey: OGMXUIDKORNPIB-RKDXNWHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.065983
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0261048
• LogD (pH = 7.4): -0.4769614
• Log P: 1.9926729
• Molar Refractivity: 71.3184 cm^3
• Polarizability: 26.730534 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.74
• LOG S: -3.02
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4