N,N'-bis(2-hydroxyphenyl)ethanediamide

• ChemBase ID: 233341
• Molecular Formular: C14H12N2O4
• Molecular Mass: 272.25608
• Monoisotopic Mass: 272.07970687
• SMILES: C(=O)(C(=O)Nc1c(O)cccc1)Nc1c(O)cccc1
• Canonical SMILES: O=C(C(=O)Nc1ccccc1O)Nc1ccccc1O
• InChI: InChI=1S/C14H12N2O4/c17-11-7-3-1-5-9(11)15-13(19)14(20)16-10-6-2-4-8-12(10)18/h1-8,17-18H,(H,15,19)(H,16,20)
• InChIKey: SKLVOJWBZJWSEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-bis(2-hydroxyphenyl)ethanediamide
• IUPAC Traditional name: N,N'-bis(2-hydroxyphenyl)ethanediamide
• Synonyms: N,N'-bis(2-hydroxyphenyl)ethanediamide

Database IDs

• CAS Number: 19532-73-1
• MDL Number: MFCD01534208
• PubChem SID: 164289251
• PubChem CID: 639236

CALCULATED PROPERTIES

• Acid pKa: 8.396246
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 1.9971745
• LogD (pH = 7.4): 1.9553154
• Log P: 1.9977216
• Molar Refractivity: 74.955 cm^3
• Polarizability: 27.245453 Å^3
• Polar Surface Area: 98.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.136

Product Information

• Purity: 95%