Acetamide, N-chloro- (CED0165064)

Record Information

Version

1.0

Creation Date

2026-04-04 06:43:00 UTC

Update Date

2026-08-22 09:41:10 UTC

SynCED ID

CED0165064

Secondary Accession Numbers

CHEM072379

Identification

Common Name

Acetamide, N-chloro-

Class

Small Molecule

Description

Acetamide, N-chloro- belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C2H4Cl1N1O1 and an average molecular weight of 93.51 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂H₄Cl₁N₁O₁

Average Molecular Mass

93.510 g/mol

Monoisotopic Mass

92.998 g/mol

CAS Registry Number

598-49-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=O)NCl

InChI Identifier

InChI=1S/C2H4ClNO/c1-2(5)4-3/h1H3,(H,4,5)

InChI Key

HSPSCWZIJWKZKD-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
217.0 Log mg/kg [120:390]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	Not Available
CEDs000555	Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.	Household cleaning & consumer products	Not Available
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000633	Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.	Textiles, leather & furnishings	Not Available
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	Not Available
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	Not Available
CEDs000736	Fuses?Fuses are safety devices designed to protect electrical circuits by breaking the circuit when excessive current flows through.	Electrical & Electronic Equipment	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	Not Available
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	Not Available
CEDs000742	Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.	Textiles, leather & furnishings	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.292 Low confidence Statistical Significance 0.3496 Supporting Reference Compounds 472 E-value 2721.61
Click to view 3D structure	Carbonic anhydrase	P46510	Flaveria bidentis	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.219 Low confidence Statistical Significance 0.0025 Supporting Reference Compounds 1 E-value 19.5402
Click to view 3D structure	Carbonic anhydrase 7	Q9ERQ8	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.219 Low confidence Statistical Significance 0.0025 Supporting Reference Compounds 1 E-value 19.5402
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.292 Low confidence Statistical Significance 0.3044 Supporting Reference Compounds 332 E-value 2369.73
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.292 Low confidence Statistical Significance 0.345 Supporting Reference Compounds 407 E-value 2685.88
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.292 Low confidence Statistical Significance 0.3051 Supporting Reference Compounds 242 E-value 2375.02
Click to view 3D structure	Beta-hexosaminidase	Q9HZK0	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.206 Low confidence Statistical Significance 5.10e-04 Supporting Reference Compounds 1 E-value 3.97031
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.231 Low confidence Statistical Significance 0.4581 Supporting Reference Compounds 372 E-value 3566.27
Click to view 3D structure	Photosystem II protein D1	P06402	Marchantia polymorpha	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.207 Low confidence Statistical Significance 0.0307 Supporting Reference Compounds 2 E-value 238.764
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.261 Low confidence Statistical Significance 0.1111 Supporting Reference Compounds 35 E-value 864.593
Click to view 3D structure	Histone lysine demethylase PHF8	Q9UPP1	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.261 Low confidence Statistical Significance 0.0083 Supporting Reference Compounds 14 E-value 64.9263
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.292 Low confidence Statistical Significance 0.2202 Supporting Reference Compounds 64 E-value 1714.63
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.292 Low confidence Statistical Significance 0.2178 Supporting Reference Compounds 78 E-value 1695.32
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.261 Low confidence Statistical Significance 0.204 Supporting Reference Compounds 45 E-value 1588.12
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.219 Low confidence Statistical Significance 0.4312 Supporting Reference Compounds 172 E-value 3356.55
Click to view 3D structure	Peptidyl-glycine alpha-amidating monooxygenase	P19021	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.189 Low confidence Statistical Significance 0.0925 Supporting Reference Compounds 1 E-value 720.417
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.233 Low confidence Statistical Significance 0.7486 Supporting Reference Compounds 400 E-value 5827.87
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.2 Low confidence Statistical Significance 0.0018 Supporting Reference Compounds 2 E-value 13.935
Click to view 3D structure	Myoglobin	P02144	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.292 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 2 E-value 19.9294
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.212 Low confidence Statistical Significance 0.8615 Supporting Reference Compounds 497 E-value 6706.87
Click to view 3D structure	Dihydroxyacetone phosphate acyltransferase	O15228	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 0.0157 Supporting Reference Compounds 1 E-value 122.301
Click to view 3D structure	Palmitoyltransferase ZDHHC7	Q9NXF8	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 0.0064 Supporting Reference Compounds 1 E-value 49.7457
Click to view 3D structure	Putative inactive group IIC secretory phospholipase A2	Q5R387	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0138 Supporting Reference Compounds 1 E-value 107.588
Click to view 3D structure	Asialoglycoprotein receptor 1	P07306	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.3363
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.219 Low confidence Statistical Significance 0.7639 Supporting Reference Compounds 241 E-value 5947.06