benzyl 2-(phenylamino)benzoate

• ChemBase ID: 107240
• Molecular Formular: C20H17NO2
• Molecular Mass: 303.35448
• Monoisotopic Mass: 303.12592879
• SMILES: O=C(OCc1ccccc1)c1ccccc1Nc1ccccc1
• Canonical SMILES: O=C(c1ccccc1Nc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C20H17NO2/c22-20(23-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)21-17-11-5-2-6-12-17/h1-14,21H,15H2
• InChIKey: BKKQLZRSBQVVFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 2-(phenylamino)benzoate
• IUPAC Traditional name: benzyl 2-(phenylamino)benzoate
• Synonyms: CARBOBENZOXY-DL-PHENYL ANILINE

Database IDs

• PubChem SID: 162106067
• PubChem CID: 3312305

CALCULATED PROPERTIES

• Acid pKa: 17.921309
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.4411216
• LogD (pH = 7.4): 6.4411216
• Log P: 6.4411216
• Molar Refractivity: 91.1821 cm^3
• Polarizability: 35.099033 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05203017

MP Biomedicals Rare Chemical collection