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	ChemicalBook:CB0145839, eMolecules:440165, ZINC000000145122

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

Citations

Last Modified

07 June 2017