4-(2,4-dioxoimidazolidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

• ChemBase ID: 496064
• Molecular Formular: C20H19N3O3
• Molecular Mass: 349.38316
• Monoisotopic Mass: 349.14264148
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NC2Cc3c(CC2)cccc3)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NC1CCc2c(C1)cccc2
• InChI: InChI=1S/C20H19N3O3/c24-18-12-23(20(26)22-18)17-9-6-14(7-10-17)19(25)21-16-8-5-13-3-1-2-4-15(13)11-16/h1-4,6-7,9-10,16H,5,8,11-12H2,(H,21,25)(H,22,24,26)
• InChIKey: HLZLMGRQGIAVAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-(1,2,3,4-tetrahydro-2-naphthalenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0629718
• LogD (pH = 7.4): 2.053893
• Log P: 2.063089
• Molar Refractivity: 96.6439 cm^3
• Polarizability: 36.59856 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.07
• LOG S: -3.52
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 3