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N-(4-Chlorophenyl)-2-chloroacetamide - 98%, high purity , CAS No.3289-75-6
Basic Description
Synonyms
2-chloro-N-(4-chlorophenyl)acetamide | 3289-75-6 | N-(4-Chlorophenyl)-2-chloroacetamide | N1-(4-Chlorophenyl)-2-Chloroacetamide | Acetamide, 2-chloro-N-(4-chlorophenyl)- | MFCD00018904 | GNF-Pf-1811 | NSC8369 | NSC 8369 | AI3-23540 | 2,4'-Dichloroacetanilide | Acetanilide, 2,4
Specifications & Purity
≥98%
Storage Temp
Room temperature,Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Not available
Direct Parent
Anilides
Alternative Parents
N-arylamides Chlorobenzenes Aryl chlorides Chloroacetamides Secondary carboxylic acid amides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Anilide - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Chloroacetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkyl chloride - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
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.
Associated Targets(non-human)
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
488186865
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488186865
IUPAC Name
2-chloro-N-(4-chlorophenyl)acetamide
INCHI
InChI=1S/C8H7Cl2NO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
InChIKey
UDRCRMHFHHTVSN-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1NC(=O)CCl)Cl
Isomeric SMILES
C1=CC(=CC=C1NC(=O)CCl)Cl
Molecular Weight
204.05
Reaxy-Rn
639450
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639450&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
168 °C
Molecular Weight
204.050 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
202.99 Da
Monoisotopic Mass
202.99 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
155.000
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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