2-Phenoxyacetanilide

HCID 897080

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Basic information

CAS: 143359-96-0
Standard SMILES: CC(=O)Nc1ccccc1Oc1ccccc1
InChIKey: MKWIUUISIFXUPZ-UHFFFAOYSA-N
Molecular formula: C14H13NO2
Average molar mass: 227.26 g/mol
Monoisotopic mass: 227.09462866

Names & identifiers

Preferred name: 2-Phenoxyacetanilide
IUPAC: N-(2-phenoxyphenyl)acetamide
English name: N-(2-phenoxyphenyl)acetamide
Molecular formula: C14H13NO2
Molecular weight: 227.26

Names & synonyms

143359-96-0DTXSID80877474RefChem:2651032-PHENOXYACETANILIDEDTXCID601015551N-(2-phenoxyphenyl)acetamideo-Acetamidodiphenyl Ether2'-phenoxyacetanilidephenoxyphenyl acetamide2'-phenoxy-acetanilideN-acetyl-2-phenoxyanilineMLS000685100

Show more names

SCHEMBL2342698SCHEMBL7010626CHEMBL1711712SCHEMBL30327328Acetamide, N-(2-phenoxyphenyl)-MKWIUUISIFXUPZ-UHFFFAOYSA-NHMS2730C19TFA35996

Database identifiers

CAS: 143359-96-0
PubChem CID: 897080
DTXSID: DTXSID80877474
ChEMBL: CHEMBL1711712
Nikkaji: J1.597.665I

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 249

Experimental & physicochemical properties

LogP2.37

Solubility>34.1 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 89 · 89-90 °C
Boiling point: 387.9 · 387.9±25.0 °C(Predicted)
Density: 1.176 · 1.176±0.06 g/cm3(Predicted)
solubility: Dichloromethane, Ethyl Acetate
pka: 14.31 · 14.31±0.70(Predicted)

Chemistry & industry

Applications

Useso-Acetamidodiphenyl Ether is an intermediate for 1,2,3,4,5-Pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene (P237860), which is a polybrominated diphenyl ethers (PBDEs) found as a contaminant in soil.