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4'-Fluoroacetanilide - ≥98.0%, high purity , CAS No.351-83-7
Basic Description
Synonyms
F0293-0065 | AKOS002347285 | F0521 | 4-FLUOROPHENYL ACETAMIDE | N-(4-FLUOROPHENYL)ACETAMIDE | N-(4-Fluoro-phenyl)-acetamide | N-(4-fluorophenyl)-acetamide | AI3-52222 | EINECS 206-515-9 | N-(p-Fluorophenyl)acetamide | 1-Acetamido-4-fluorobenzene | A822630
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Acetanilides - Haloacetanilides
Direct Parent
P-haloacetanilides
Alternative Parents
N-acetylarylamines Fluorobenzenes Aryl fluorides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-haloacetanilide - N-acetylarylamine - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn para-substituted with a halogen atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488181001
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488181001
IUPAC Name
N-(4-fluorophenyl)acetamide
INCHI
InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKey
JHEFOJNPLXSWNZ-UHFFFAOYSA-N
Smiles
CC(=O)NC1=CC=C(C=C1)F
Isomeric SMILES
CC(=O)NC1=CC=C(C=C1)F
RTECS
AE2977000
Molecular Weight
153.16
Beilstein
2208090
Reaxy-Rn
2208090
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208090&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Melt Point(°C)
151-153°C
Molecular Weight
153.150 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
153.059 Da
Monoisotopic Mass
153.059 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
141.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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