EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2RA6KRO7U9
EPA CompTox	DTXSID7058092

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2RA6KRO7U9

EPA CompTox

DTXSID7058092


InChI Key	IPENDKRRWFURRE-UHFFFAOYSA-N
Smiles	Fc1ccc(cc1)N1C(=O)C(=C(Cl)C1=O)Cl
InChI	InChI=1S/C10H4Cl2FNO2/c11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h1-4H

InChI Key

IPENDKRRWFURRE-UHFFFAOYSA-N

Smiles

Fc1ccc(cc1)N1C(=O)C(=C(Cl)C1=O)Cl

InChI

InChI=1S/C10H4Cl2FNO2/c11-7-8(12)10(16)14(9(7)15)6-3-1-5(13)2-4-6/h1-4H

Property Name	Value
Molecular Formula	C10H4Cl2F1N1O2
Molecular Weight	258.96
AlogP	2.39
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	37.38
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C10H4Cl2F1N1O2

Molecular Weight

258.96

AlogP

2.39

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

37.38

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	41205-21-4
NORMAN SUSDAT
FDA SRS	2RA6KRO7U9
PubChem	93228
ChemSpider	84168.0

Resources

Reference

CAS NUMBER

41205-21-4

NORMAN SUSDAT

FDA SRS

2RA6KRO7U9

PubChem

93228

ChemSpider

84168.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

FLUOROIMIDE

Structure

Physicochemical Descriptors

Cross References