N-(triphenylmethyl)formamide

• ChemBase ID: 108052
• Molecular Formular: C20H17NO
• Molecular Mass: 287.35508
• Monoisotopic Mass: 287.13101417
• SMILES: O=CNC(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=CNC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H17NO/c22-16-21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H,21,22)
• InChIKey: YQWPJHSDJOAZPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(triphenylmethyl)formamide
• IUPAC Traditional name: N-(triphenylmethyl)formamide
• Synonyms: N-FORMYLTRIPHENYLMETHYLAMINE

Database IDs

• CAS Number: 20799-66-0
• PubChem SID: 162094180
• PubChem CID: 140763

CALCULATED PROPERTIES

• Acid pKa: 12.815837
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.301644
• LogD (pH = 7.4): 4.301643
• Log P: 4.3016443
• Molar Refractivity: 89.9223 cm^3
• Polarizability: 34.46243 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205891

MP Biomedicals Rare Chemical collection