N-phenylbenzamide

• ChemBase ID: 75240
• Molecular Formular: C13H11NO
• Molecular Mass: 197.23254
• Monoisotopic Mass: 197.08406398
• SMILES: N(c1ccccc1)C(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
• InChIKey: ZVSKZLHKADLHSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylbenzamide
• IUPAC Traditional name: benzanilide
• Synonyms: Benzanilide; N-benzoylphenylamine; N-Benzoylaniline; N-Phenylbenzamide; Benzanilide; N-Phenylbenzamide; N-苯基苯甲酰胺; N-苯甲酰替苯胺; 苯甲酰苯胺

Database IDs

• CAS Number: 93-98-1
• EC Number: 202-292-7
• MDL Number: MFCD00003069
• Beilstein Number: 1102980
• Merck Index: 141061
• PubChem SID: 24867863; 24847430; 162040158; 24846656
• PubChem CID: 7168
• CHEMBL: 115523
• Chemspider ID: 6900
• Wikipedia Title: Benzanilide
• Color Index Number: 42095

CALCULATED PROPERTIES

• Acid pKa: 14.335373
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0651307
• LogD (pH = 7.4): 3.0651305
• Log P: 3.0651307
• Molar Refractivity: 61.5915 cm^3
• Polarizability: 22.957657 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Melting Point: 161-163 °C(lit.); 162-164 °C; 162-165 °C; 162-166°C
• Boiling Point: 117 °C/10 mmHg(lit.); 117°C/10mm
• Flash Point: 141 °C
• Density: 1.314 g/cm^3; 1.32

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: human ... EPHX2(2053)mouse ... Ephx2(13850)

Product Information

• Purity: ≥95% (N); 95+%; 98%; 98+%
• Grade: analytical standard; technical
• Packaging: ampule of 1000 mg
• Linear Formula: C6H5CONHC6H5

DETAILS

MP Biomedicals - 05214107

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 108227

Packaging
100, 500 g in poly bottle
5 g in glass bottle