N-(1-carbamoylcyclopentyl)-2,3-dihydro-1H-indene-1-carboxamide

• ChemBase ID: 660015
• Molecular Formular: C16H20N2O2
• Molecular Mass: 272.3422
• Monoisotopic Mass: 272.15247789
• SMILES: C(=O)(NC1(C(=O)N)CCCC1)C1c2c(CC1)cccc2
• Canonical SMILES: O=C(C1CCc2c1cccc2)NC1(CCCC1)C(=O)N
• InChI: InChI=1S/C16H20N2O2/c17-15(20)16(9-3-4-10-16)18-14(19)13-8-7-11-5-1-2-6-12(11)13/h1-2,5-6,13H,3-4,7-10H2,(H2,17,20)(H,18,19)
• InChIKey: USZZCOFXFTXKLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-carbamoylcyclopentyl)-2,3-dihydro-1H-indene-1-carboxamide
• IUPAC Traditional name: N-(1-carbamoylcyclopentyl)-2,3-dihydro-1H-indene-1-carboxamide
• Synonyms: N-[1-(aminocarbonyl)cyclopentyl]indane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.545768
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8742989
• LogD (pH = 7.4): 1.8742963
• Log P: 1.874299
• Molar Refractivity: 76.2578 cm^3
• Polarizability: 29.698355 Å^3
• Polar Surface Area: 72.19 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: 0.89
• LOG S: -1.95
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 3