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

• ChemBase ID: 568618
• Molecular Formular: C15H21FN2O
• Molecular Mass: 264.3384432
• Monoisotopic Mass: 264.16379152
• SMILES: N(C(=O)CNC)[C@@H]1[C@H](Cc2ccc(F)cc2)CCC1
• Canonical SMILES: CNCC(=O)N[C@H]1CCC[C@H]1Cc1ccc(cc1)F
• InChI: InChI=1S/C15H21FN2O/c1-17-10-15(19)18-14-4-2-3-12(14)9-11-5-7-13(16)8-6-11/h5-8,12,14,17H,2-4,9-10H2,1H3,(H,18,19)/t12-,14-/m0/s1
• InChIKey: NEFIRLXUKUFFSP-JSGCOSHPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-(methylamino)acetamide
• IUPAC Traditional name: N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-(methylamino)acetamide
• Synonyms: N~1~-[(1S*,2S*)-2-(4-fluorobenzyl)cyclopentyl]-N~2~-methylglycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.868087
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8283889
• LogD (pH = 7.4): 0.7282806
• Log P: 2.1425877
• Molar Refractivity: 73.2941 cm^3
• Polarizability: 28.560293 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.97
• LOG S: -2.81
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5