EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WF943S8VL7
EPA CompTox	DTXSID70153097

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WF943S8VL7

EPA CompTox

DTXSID70153097


InChI Key	OIDXADKOPPNJOB-UHFFFAOYSA-N
Smiles	Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1N
InChI	InChI=1S/C14H13ClN2O/c1-9-7-13(11(15)8-12(9)16)17-14(18)10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,18)

InChI Key

OIDXADKOPPNJOB-UHFFFAOYSA-N

Smiles

Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1N

InChI

InChI=1S/C14H13ClN2O/c1-9-7-13(11(15)8-12(9)16)17-14(18)10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,18)

Property Name	Value
Molecular Formula	C14H13Cl1N2O1
Molecular Weight	260.07
AlogP	3.48
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	55.12
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H13Cl1N2O1

Molecular Weight

260.07

AlogP

3.48

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

55.12

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	121-22-2
NORMAN SUSDAT
FDA SRS	WF943S8VL7
PubChem	67133
ChemSpider	60480.0

Resources

Reference

CAS NUMBER

121-22-2

NORMAN SUSDAT

FDA SRS

WF943S8VL7

PubChem

67133

ChemSpider

60480.0

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

N-(4-AMINO-2-CHLORO-5-METHYLPHENYL)BENZAMIDE

Structure

Physicochemical Descriptors

Cross References