2-amino-N-(2-phenoxyethyl)benzamide

• ChemBase ID: 55956
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: c1(C(=O)NCCOc2ccccc2)c(N)cccc1
• Canonical SMILES: O=C(c1ccccc1N)NCCOc1ccccc1
• InChI: InChI=1S/C15H16N2O2/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18)
• InChIKey: FYNMBQQDLVJYSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-phenoxyethyl)benzamide
• IUPAC Traditional name: 2-amino-N-(2-phenoxyethyl)benzamide
• Synonyms: 2-Amino-N-(2-phenoxyethyl)benzamide

Database IDs

• MDL Number: MFCD02019005
• PubChem SID: 162060719
• PubChem CID: 5046389

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5119543
• LogD (pH = 7.4): 2.5126767
• Log P: 2.5126858
• Molar Refractivity: 75.2857 cm^3
• Polarizability: 28.25442 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.381057

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false