45572 <common-name>3',5'-dichloro-4'-ethyl-2'-hydroxypalmitanilide</common-name> <description>3',5'-dichloro-4'-ethyl-2'-hydroxypalmitanilide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C24H39Cl2NO2 and an average molecular weight of 444.48 g/mol. It has been found in or released from one recorded source, specifically drinking water within drinking water and water supply systems. The recorded exposure route for this substance is oral.</description> <cas>117827-06-2</cas> <pubchem-id>14344747</pubchem-id> <chemical-formula>C24H39Cl2NO2</chemical-formula> <weight>444.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-06-03T12:16:37Z</created-at> <updated-at type="dateTime">2026-08-22T04:10:05Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCCCCCCCCCCCCCC(O)=NC1=C(O)C(Cl)=C(CC)C(Cl)=C1</moldb-smiles> <moldb-formula>C24H39Cl2NO2</moldb-formula> <moldb-inchi>InChI=1S/C24H39Cl2NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)27-21-18-20(25)19(4-2)23(26)24(21)29/h18,29H,3-17H2,1-2H3,(H,27,28)</moldb-inchi> <moldb-inchikey>XNIGXYXNGOOKMT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">444.48</moldb-average-mass> <moldb-mono-mass type="decimal">443.2357849</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>10.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>10751147</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM044467</chemdb-id> <dsstox-id>DTXSID70888892</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006403</stoff-ident-id> <susdat-id>NS00004201</susdat-id> <iupac>N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide</iupac> <moldb-polar-surface-area>52.82000000000001</moldb-polar-surface-area> <moldb-refractivity>127.34869999999997</moldb-refractivity> <moldb-polarizability>52.79368084329318</moldb-polarizability> <moldb-rotatable-bond-count>16</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>4.888861105089933</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>0.039284747889378635</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>8.76</moldb-alogps-logp> <moldb-alogps-logs>-6.95</moldb-alogps-logs> <moldb-alogps-solubility>5.03e-05 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Anilides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0073517</sync-id> <structure-inchikey>XNIGXYXNGOOKMT-UHFFFAOYSA-N</structure-inchikey> 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