<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 15:42:28 UTC</creation_date>
  <update_date>2026-08-18 17:36:00 UTC</update_date>
  <accession/>
  <common_name>Butanamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-</common_name>
  <class>SmallMolecule</class>
  <description>Butanamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo- is an organic compound with the chemical formula C12H14Cl1N1O4 and an average molecular weight of 271.70 g/mol. Butanamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo- belongs to the methoxybenzenes, a subclass of benzene and substituted derivatives within the organic compounds.

This substance is found in or released from 18 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, coils, contacts, emergency protective devices, and communication cables or conductors. It is also linked to building and construction materials, specifically floors. In the context of food, food processing, and cookware, the compound is identified in cellar tools and the preparation of vinegar, wort, wine, or sparkling wine, as well as the processing of meats. Additionally, it is found in household cleaning and consumer products, including soap dispensers, tobacco product cases, pipe accessories, other smoking requisites, and non-electric simulated smoking devices.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>240-771-2</synonym>
    <synonym>5'-chloro-2',4'-dimethoxyacetoacetanilide</synonym>
    <synonym>Acetoacet-2,4-dimethoxy-5-chloroanilide</synonym>
    <synonym>Acetoacetanilide, 5'-chloro-2',4'-dimethoxy-</synonym>
    <synonym>Acetoacetanilide, 5'-chloro-2',4'-dimethoxy- (8CI)</synonym>
    <synonym>Butanamide, N- (5-chloro-2, 4-dimethoxyphenyl)-3-oxo-</synonym>
    <synonym>Butanamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-</synonym>
    <synonym>MFCD00053711</synonym>
    <synonym>N-(5-Chloro-2,4-dimethoxyphenyl)-3-oxobutanamide</synonym>
  </synonyms>
  <chemical_formula>C12H14Cl1N1O4</chemical_formula>
  <average_molecular_weight>271.7</average_molecular_weight>
  <monisotopic_moleculate_weight>271.061136</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>16715-80-3</cas_registry_number>
  <smiles>COC1=CC(OC)=C(NC(=O)CC(C)=O)C=C1Cl</smiles>
  <inchi>InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-5-8(13)10(17-2)6-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)</inchi>
  <inchikey>DUWWHGPELOTTOE-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>271.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>271.061136</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC1=CC(OC)=C(NC(=O)CC(C)=O)C=C1Cl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H14Cl1N1O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-5-8(13)10(17-2)6-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DUWWHGPELOTTOE-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7267b71408&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>85565</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>19972117</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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  <general_references/>
  <targets>
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</compound>
