N-(2-((Triphenylphosphoranyl)methyl)phenyl)acetamide

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Basic information

CAS: 80556-69-0
Standard SMILES: CC(=O)Nc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: HPJOKHYZSIFSFY-UHFFFAOYSA-O
Molecular formula: C27H25NOP+
Average molar mass: 410.5 g/mol
Monoisotopic mass: 410.16737642

Names & identifiers

Preferred name: N-(2-((Triphenylphosphoranyl)methyl)phenyl)acetamide
IUPAC: (2-acetamidophenyl)methyl-triphenylphosphanium

Names & synonyms

N-(2-((Triphenylphosphoranyl)methyl)phenyl)acetamide80556-69-0NSC 211056NSC211056DTXSID10230396(2-acetamidophenyl)methyl-triphenyl-phosphonium[(2-Acetamidophenyl)methyl]tri(phenyl)phosphanium

Database identifiers

CAS: 80556-69-0
PubChem CID: 494176
DTXSID: DTXSID10230396

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 30
Formal charge: 1
Complexity: 485

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Compound notes

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