EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID20239779

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID20239779


InChI Key	KZURMKZAGBRHQM-UHFFFAOYSA-N
Smiles	NC(=O)C(=O)c1c(Cl)cc(Cl)cc1
InChI	InChI=1S/C8H5Cl2NO2/c9-4-1-2-5(6(10)3-4)7(12)8(11)13/h1-3H,(H2,11,13)

InChI Key

KZURMKZAGBRHQM-UHFFFAOYSA-N

Smiles

NC(=O)C(=O)c1c(Cl)cc(Cl)cc1

InChI

InChI=1S/C8H5Cl2NO2/c9-4-1-2-5(6(10)3-4)7(12)8(11)13/h1-3H,(H2,11,13)

Property Name	Value
Molecular Formula	C8H5Cl2N1O2
Molecular Weight	216.97
AlogP	1.66
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	60.16
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C8H5Cl2N1O2

Molecular Weight

216.97

AlogP

1.66

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

60.16

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	93842-98-9
NORMAN SUSDAT
PubChem	3022640
ChemSpider	2289097.0

Resources

Reference

CAS NUMBER

93842-98-9

NORMAN SUSDAT

PubChem

3022640

ChemSpider

2289097.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2-(2,4-DICHLOROPHENYL)-2-OXOACETAMIDE

Structure

Physicochemical Descriptors

Cross References