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

• ChemBase ID: 446699
• Molecular Formular: C18H19FN2O
• Molecular Mass: 298.3546632
• Monoisotopic Mass: 298.14814146
• SMILES: C(=O)(N[C@H]1C[C@H](N)CC1)c1cc(c2cc(F)ccc2)ccc1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1cccc(c1)c1cccc(c1)F
• InChI: InChI=1S/C18H19FN2O/c19-15-6-2-4-13(10-15)12-3-1-5-14(9-12)18(22)21-17-8-7-16(20)11-17/h1-6,9-10,16-17H,7-8,11,20H2,(H,21,22)/t16-,17-/m1/s1
• InChIKey: YKZMQCUAGJAVMZ-IAGOWNOFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-3-(3-fluorophenyl)benzamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-3-(3-fluorophenyl)benzamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-3'-fluorobiphenyl-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.1570635
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.3929809
• LogD (pH = 7.4): 0.15615942
• Log P: 2.625797
• Molar Refractivity: 85.0823 cm^3
• Polarizability: 33.765846 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.44
• LOG S: -3.46
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3