N,N'-diphenylethanediamide

• ChemBase ID: 110972
• Molecular Formular: C14H12N2O2
• Molecular Mass: 240.25728
• Monoisotopic Mass: 240.08987763
• SMILES: O=C(Nc1ccccc1)C(=O)Nc1ccccc1
• Canonical SMILES: O=C(C(=O)Nc1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C14H12N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
• InChIKey: FTWUXYZHDFCGSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-diphenylethanediamide
• IUPAC Traditional name: ethanediamide, N,N'-diphenyl-
• Synonyms: N1,N2-diphenyloxalamide; N,N'-Diphenyloxamide; Oxalic acid dianilide; Oxanilide; OXANILIDE; 草酰替苯胺

Database IDs

• CAS Number: 620-81-5
• EC Number: 210-653-5
• MDL Number: MFCD00041758
• Beilstein Number: 1645104
• PubChem SID: 162096983
• PubChem CID: 69288

CALCULATED PROPERTIES

• Acid pKa: 10.858087
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6048505
• LogD (pH = 7.4): 2.6047084
• Log P: 2.6048522
• Molar Refractivity: 70.9932 cm^3
• Polarizability: 25.995945 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 252-254°C

Safety Information

• RTECS: KH8368000
• TSCA Listed: 是

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05217271

MP Biomedicals Rare Chemical collection