N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-(pyridin-2-yl)acetamide

• ChemBase ID: 536394
• Molecular Formular: C19H21FN2O
• Molecular Mass: 312.3812432
• Monoisotopic Mass: 312.16379152
• SMILES: C(=O)(N[C@@H]1[C@H](Cc2ccc(F)cc2)CCC1)Cc1ncccc1
• Canonical SMILES: O=C(Cc1ccccn1)N[C@H]1CCC[C@H]1Cc1ccc(cc1)F
• InChI: InChI=1S/C19H21FN2O/c20-16-9-7-14(8-10-16)12-15-4-3-6-18(15)22-19(23)13-17-5-1-2-11-21-17/h1-2,5,7-11,15,18H,3-4,6,12-13H2,(H,22,23)/t15-,18-/m0/s1
• InChIKey: QGLSINOBXUDISU-YJBOKZPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-(pyridin-2-yl)acetamide
• IUPAC Traditional name: N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-(pyridin-2-yl)acetamide
• Synonyms: N-[(1S*,2S*)-2-(4-fluorobenzyl)cyclopentyl]-2-pyridin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.731534
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6094058
• LogD (pH = 7.4): 3.6363
• Log P: 3.6366546
• Molar Refractivity: 87.3528 cm^3
• Polarizability: 33.882164 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.57
• LOG S: -2.37
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 5