EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID50213007

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID50213007


InChI Key	GKJUMTZXIUCPAG-UHFFFAOYSA-N
Smiles	CC(C)N1C(=O)CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1=O
InChI	InChI=1S/C13H13Cl2N3O3/c1-7(2)18-11(19)6-17(13(18)21)12(20)16-10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)

InChI Key

GKJUMTZXIUCPAG-UHFFFAOYSA-N

Smiles

CC(C)N1C(=O)CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1=O

InChI

InChI=1S/C13H13Cl2N3O3/c1-7(2)18-11(19)6-17(13(18)21)12(20)16-10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)

Property Name	Value
Molecular Formula	C13H13Cl2N3O3
Molecular Weight	329.03
AlogP	3.21
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	73.21
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C13H13Cl2N3O3

Molecular Weight

329.03

AlogP

3.21

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

73.21

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	63637-89-8
NORMAN SUSDAT
PubChem	149013
ChemSpider	131339.0

Resources

Reference

CAS NUMBER

63637-89-8

NORMAN SUSDAT

PubChem

149013

ChemSpider

131339.0

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

1-IMIDAZOLIDINECARBOXAMIDE, N-(3,5-DICHLOROPHENYL)-3-(1-METHYLETHYL)-2,4-DIOXO-

Structure

Physicochemical Descriptors

Cross References