Record Information
Version1.0
Creation Date2026-04-03 02:03:53 UTC
Update Date2026-04-03 02:03:53 UTC
Accession NumberCHEM060070
Identification
Common NameN-(3-Chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,6-dimethylphenyl)urea
ClassSmall Molecule
DescriptionN-(3-Chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,6-dimethylphenyl)urea belongs to the n-phenylureas, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C18H18Cl1N3O6.
Contaminant SourcesNot Available
Contaminant TypeNot Available
Chemical Structure
Thumb
SynonymsNot Available
Chemical FormulaC18H18Cl1N3O6
Average Molecular MassNot Available
Monoisotopic Mass407.088 g/mol
CAS Registry NumberNot Available
IUPAC Name3-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-5-nitrobenzamide
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C18H18ClN3O6/c1-9-6-5-7-10(2)14(9)20-18(24)21-17(23)13-15(27-3)11(19)8-12(22(25)26)16(13)28-4/h5-8H,1-4H3,(H2,20,21,23,24)
InChI KeyCBWBENNKCRRYEV-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as n-benzoyl-n'-phenylureas. These are n-acyl-phenylureas that have the acyl group substituted by a phenyl group.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassN-phenylureas
Direct ParentN-benzoyl-N'-phenylureas
Alternative Parents
Substituents
  • N-benzoyl-n'-phenylurea
  • Nitrophenyl ether
  • Halobenzoic acid or derivatives
  • Dimethoxybenzene
  • M-dimethoxybenzene
  • 3-halobenzoic acid or derivatives
  • Methoxyaniline
  • Benzoic acid or derivatives
  • Nitrobenzene
  • Xylene
  • Phenol ether
  • M-xylene
  • Methoxybenzene
  • Benzoyl
  • Nitroaromatic compound
  • Phenoxy compound
  • Anisole
  • Alkyl aryl ether
  • Chlorobenzene
  • Halobenzene
  • Aryl chloride
  • Aryl halide
  • Organic nitro compound
  • Urea
  • Carbonic acid derivative
  • C-nitro compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Allyl-type 1,3-dipolar organic compound
  • Organic oxoazanium
  • Carboxylic acid derivative
  • Ether
  • Hydrocarbon derivative
  • Organic oxide
  • Organic nitrogen compound
  • Organohalogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Organochloride
  • Organonitrogen compound
  • Organic zwitterion
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot 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
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID2800498
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available