N-(2,6-diethylphenyl)-2-chloroacetamide (CHEBI:136492)

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ChEBI Name	N-(2,6-diethylphenyl)-2-chloroacetamide

ChEBI ID	CHEBI:136492

ChEBI ASCII Name	N-(2,6-diethylphenyl)-2-chloroacetamide

Definition	An aromatic amide obtained by formal condensation of the carboxy group of chloroacetic acid with the amnio group of 2,6-diethylaniline.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C12H16ClNO

Net Charge

Average Mass

225.715

Monoisotopic Mass

225.09204

InChI

InChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)

InChIKey

LBJVHMAYBNQJBK-UHFFFAOYSA-N

SMILES

C1=CC=C(C(=C1CC)NC(CCl)=O)CC

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	See: PubMed
Bacillus sp. HYS-1 (NCBI:txid1622086)	See: PubMed
Cunninghamella elegans (NCBI:txid4853)	of strain ATCC 36112 See: DOI
Homo Sapiens (NCBI:txid9606)	See: PubMed

Roles Classification
Biological Role(s):	bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). fungal xenobiotic metabolite Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi. genotoxin A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells. carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.

ChEBI Ontology
Outgoing	N-(2,6-diethylphenyl)-2-chloroacetamide (CHEBI:136492) has functional parent chloroacetic acid (CHEBI:27869) N-(2,6-diethylphenyl)-2-chloroacetamide (CHEBI:136492) has role bacterial xenobiotic metabolite (CHEBI:76976) N-(2,6-diethylphenyl)-2-chloroacetamide (CHEBI:136492) has role carcinogenic agent (CHEBI:50903) N-(2,6-diethylphenyl)-2-chloroacetamide (CHEBI:136492) has role fungal xenobiotic metabolite (CHEBI:76968) N-(2,6-diethylphenyl)-2-chloroacetamide (CHEBI:136492) has role genotoxin (CHEBI:50902) N-(2,6-diethylphenyl)-2-chloroacetamide (CHEBI:136492) has role human xenobiotic metabolite (CHEBI:76967) N-(2,6-diethylphenyl)-2-chloroacetamide (CHEBI:136492) has role rat metabolite (CHEBI:86264) N-(2,6-diethylphenyl)-2-chloroacetamide (CHEBI:136492) is a aromatic amide (CHEBI:62733) N-(2,6-diethylphenyl)-2-chloroacetamide (CHEBI:136492) is a organochlorine compound (CHEBI:36683)

IUPAC Name

2-chloro-N-(2,6-diethylphenyl)acetamide

Synonyms	Sources
2-Chloro-2',6'-diethylacetanilide	ChemIDplus
α-chloro-2',6'-diethylacetanilide	ChEBI
N-(2,6-diethylphenyl)-2-chloroacetamide	UniProt
N-2'-Chloroacetyl-2,6-diethylaniline	NIST Chemistry WebBook

Last Modified

07 June 2017