EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D98ZT9E9CU
EPA CompTox	DTXSID30241025

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D98ZT9E9CU

EPA CompTox

DTXSID30241025


InChI Key	SYJFCLOLWNACOW-UHFFFAOYSA-N
Smiles	CN(C)c1c(NC(=O)Nc2cc(Cl)c(Cl)cc2)cccc1
InChI	InChI=1S/C15H15Cl2N3O/c1-20(2)14-6-4-3-5-13(14)19-15(21)18-10-7-8-11(16)12(17)9-10/h3-9H,1-2H3,(H2,18,19,21)

InChI Key

SYJFCLOLWNACOW-UHFFFAOYSA-N

Smiles

CN(C)c1c(NC(=O)Nc2cc(Cl)c(Cl)cc2)cccc1

InChI

InChI=1S/C15H15Cl2N3O/c1-20(2)14-6-4-3-5-13(14)19-15(21)18-10-7-8-11(16)12(17)9-10/h3-9H,1-2H3,(H2,18,19,21)

Property Name	Value
Molecular Formula	C15H15Cl2N3O1
Molecular Weight	323.06
AlogP	4.72
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	47.86
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H15Cl2N3O1

Molecular Weight

323.06

AlogP

4.72

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

47.86

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	94201-84-0
NORMAN SUSDAT
FDA SRS	D98ZT9E9CU
PubChem	3024009
ChemSpider	2290038.0

Resources

Reference

CAS NUMBER

94201-84-0

NORMAN SUSDAT

FDA SRS

D98ZT9E9CU

PubChem

3024009

ChemSpider

2290038.0

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-(3,4-DICHLOROPHENYL)-3-(2-(DIMETHYLAMINO)PHENYL)UREA

Structure

Physicochemical Descriptors

Cross References