<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">88841</id>
  <title nil="true"/>
  <common-name>2-Chloropropionamide</common-name>
  <description>2-Chloropropionamide belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C3H6ClNO and an average molecular weight of 107.54 g/mol.</description>
  <cas>27816-36-0</cas>
  <pubchem-id>94385</pubchem-id>
  <chemical-formula>C3H6ClNO</chemical-formula>
  <weight>107.54</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">2026-04-04T23:20:04Z</created-at>
  <updated-at type="dateTime">2026-08-22T13:17:10Z</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>CC(Cl)C(O)=N</moldb-smiles>
  <moldb-formula>C3H6ClNO</moldb-formula>
  <moldb-inchi>InChI=1/C3H6ClNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)</moldb-inchi>
  <moldb-inchikey>OEZPDHRXGCLGKB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">107.54</moldb-average-mass>
  <moldb-mono-mass type="decimal">107.0137915</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM084734</chemdb-id>
  <dsstox-id>DTXSID80950493</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00049648</susdat-id>
  <iupac>2-chloropropanamide</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Carboxylic acid derivatives</subklass>
  <paper-count type="integer">24</paper-count>
  <sync-id>CED0028356</sync-id>
  <structure-inchikey>OEZPDHRXGCLGKB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000004000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000010000000000000000000000000020000000000000000000000000000000000040000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000080000000000000000000000000000000000000800000000000000000000000000400000</structure-fingerprint>
  <structure-pattern-fingerprint>2000000000000000000000000000004000000200040000000000000080100000000000000000000000002200000000c000100004400808000000011000000000000100000008043000000000000400000020000000000000100042000000000000000400000c0200000200080100800200411200000001000020040000404000000000000400800000010041002440000200000080000000000814300000000c000000008000020021002c000000000080000000000000000000000000004000000000000000000000000000000000840000000000008020000000008000000000c000000000000000000000080006000000000000010040000</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:32:21Z</structure-indexed-at>
</compound>
