N-(6-methyl-2,3-dinitrophenyl)acetamide (CED0316343)

Record Information
Version1.0
Creation Date2026-09-01 17:35:52 UTC
Update Date2026-09-01 17:35:52 UTC
SynCED IDCED0316343
Secondary Accession Numbers
  • CHEM362323
Identification
Common NameN-(6-methyl-2,3-dinitrophenyl)acetamide
ClassSmall Molecule
Description
N-(6-methyl-2,3-dinitrophenyl)acetamide is a chemical compound with the formula C9H9N3O5. It has an average molecular weight of 239.18 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H9N3O5
Average Molecular MassNot Available
Monoisotopic Mass239.054 g/mol
CAS Registry Number3484-28-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
InChI IdentifierInChI=1S/C9H9N3O5/c1-5-3-4-7(11(14)15)9(12(16)17)8(5)10-6(2)13/h3-4H,1-2H3,(H,10,13)
InChI KeyHHEFTOKUGQDGPB-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2400.0 Log mg/kg [1300:4300]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
No Sources linked to this compound
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Krueppel-like factor 10 structureClick to view 3D structureKrueppel-like factor 10Q13118HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.345
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Salicylate synthetase, Irp9 structureClick to view 3D structureSalicylate synthetase, Irp9Q9X9I8Yersinia enterocoliticaPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Click to view 3D structureCarboxylesteraseB3TNN2Loxostege sticticalisPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.306
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.396
Statistical Significance
0.0085
Supporting Reference Compounds
205
E-value
66.5611
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.396
Statistical Significance
0.0159
Supporting Reference Compounds
226
E-value
123.625
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.396
Statistical Significance
0.0159
Supporting Reference Compounds
227
E-value
123.625
Cystathionine beta-lyase MetC structureClick to view 3D structureCystathionine beta-lyase MetCP06721Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.275 Low confidence
Statistical Significance
8.10e-04
Supporting Reference Compounds
1
E-value
6.30579
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.308
Statistical Significance
0.0138
Supporting Reference Compounds
117
E-value
107.121
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.333
Statistical Significance
0.0175
Supporting Reference Compounds
146
E-value
136.47
Catechol O-methyltransferase structureClick to view 3D structureCatechol O-methyltransferaseP22734Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.306
Statistical Significance
0.0017
Supporting Reference Compounds
15
E-value
13.0008
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.306
Statistical Significance
0.0409
Supporting Reference Compounds
166
E-value
318.793
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.279 Low confidence
Statistical Significance
0.0189
Supporting Reference Compounds
117
E-value
147.369
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.316
Statistical Significance
0.07
Supporting Reference Compounds
343
E-value
545.178
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.308
Statistical Significance
0.1336
Supporting Reference Compounds
472
E-value
1040.07
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.256 Low confidence
Statistical Significance
0.003
Supporting Reference Compounds
1
E-value
23.3548
G-protein coupled receptor 35 structureClick to view 3D structureG-protein coupled receptor 35Q9HC97HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.306
Statistical Significance
0.0228
Supporting Reference Compounds
115
E-value
177.263
Toll-like receptor 9 structureClick to view 3D structureToll-like receptor 9Q9NR96HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.286 Low confidence
Statistical Significance
0.022
Supporting Reference Compounds
111
E-value
171.19
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.308
Statistical Significance
0.524
Supporting Reference Compounds
1538
E-value
4079.69
Click to view 3D structureCatechol O-methyltransferaseQ99028Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.267 Low confidence
Statistical Significance
7.00e-04
Supporting Reference Compounds
2
E-value
5.44945
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.322
Statistical Significance
0.0605
Supporting Reference Compounds
118
E-value
471.299
Click to view 3D structurePutative nitroreductaseQ4A0P1Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)Predicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.261 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
2
E-value
8.25202
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0368
Supporting Reference Compounds
57
E-value
286.719
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0296
Supporting Reference Compounds
40
E-value
230.2
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.308
Statistical Significance
0.0405
Supporting Reference Compounds
125
E-value
315.211
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 structureClick to view 3D structureCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1Q9GZU7HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.316
Statistical Significance
0.0512
Supporting Reference Compounds
128
E-value
398.744
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available