EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	071P4J77HF
EPA CompTox	DTXSID6046424

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

071P4J77HF

EPA CompTox

DTXSID6046424


InChI Key	UORGKWWJEQDTGX-UHFFFAOYSA-N
Smiles	CCN(CC)CCNC(=O)COc1ccc(cc1)Cl CCN(CC)CCNC(=O)COc1ccc(cc1)Cl
InChI	InChI=1S/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)

InChI Key

UORGKWWJEQDTGX-UHFFFAOYSA-N

Smiles

CCN(CC)CCNC(=O)COc1ccc(cc1)Cl CCN(CC)CCNC(=O)COc1ccc(cc1)Cl

InChI

InChI=1S/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)

Property Name	Value
Molecular Formula	C14H21Cl1N2O2
Molecular Weight	284.13
AlogP	3.02
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	45.06
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H21Cl1N2O2

Molecular Weight

284.13

AlogP

3.02

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

45.06

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	1223-36-5
NORMAN SUSDAT
FDA SRS	071P4J77HF
PubChem	28554
ChemSpider	26562.0

Resources

Reference

CAS NUMBER

1223-36-5

NORMAN SUSDAT

FDA SRS

071P4J77HF

PubChem

28554

ChemSpider

26562.0

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

CLOFEXAMIDE

Structure

Physicochemical Descriptors

Cross References