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

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI ID	CHEBI:136492
ChEBI Name	N-(2,6-diethylphenyl)-2-chloroacetamide
Stars
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.
Last Modified	7 June 2017
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C12H16ClNO
Net Charge	0
Average Mass	225.719
Monoisotopic Mass	225.09204
SMILES	CCc1cccc(CC)c1NC(=O)CCl
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

Species of Metabolite	Component	Source	Comments
Bacillus sp. HYS-1 (ncbitaxon:1622086)	-	PubMed (26368393)
Cunninghamella elegans (ncbitaxon:4853)	-	DOI (10.1021/jf00027a026)	Strain: ATCC 36112
Homo Sapiens (ncbitaxon:9606)	-	PubMed (10475613)
Rattus norvegicus (ncbitaxon:10116)	-	PubMed (11133395)

Roles Classification

Biological Roles:

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.

rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).

bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.

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.

human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

fungal xenobiotic metabolite Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
2-Chloro-2',6'-diethylacetanilide	ChemIDplus
N-2'-Chloroacetyl-2,6-diethylaniline	NIST Chemistry WebBook
α-chloro-2',6'-diethylacetanilide	ChEBI

UniProt Name	Source
N-(2,6-diethylphenyl)-2-chloroacetamide	UniProt

Manual Xrefs	Databases
CPD-18945	MetaCyc
HMDB0032855	HMDB

Registry Numbers	Sources
Reaxys:2111384	Reaxys
CAS:6967-29-9	NIST Chemistry WebBook
CAS:6967-29-9	ChemIDplus

Citations