EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	AK6L8LX7FX
EPA CompTox	DTXSID60203590

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

AK6L8LX7FX

EPA CompTox

DTXSID60203590


InChI Key	JQMAWYRGSOSWNJ-UHFFFAOYSA-N
Smiles	Clc1ccc(NC(=O)CBr)c(c1)C(=O)c1ccccc1Cl
InChI	InChI=1S/C15H10BrCl2NO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)

InChI Key

JQMAWYRGSOSWNJ-UHFFFAOYSA-N

Smiles

Clc1ccc(NC(=O)CBr)c(c1)C(=O)c1ccccc1Cl

InChI

InChI=1S/C15H10BrCl2NO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)

Property Name	Value
Molecular Formula	C15H10Br1Cl2N1O2
Molecular Weight	384.93
AlogP	5.21
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	49.66
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H10Br1Cl2N1O2

Molecular Weight

384.93

AlogP

5.21

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

49.66

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	5504-92-7
NORMAN SUSDAT
FDA SRS	AK6L8LX7FX
PubChem	79640
ChemSpider	71943.0

Resources

Reference

CAS NUMBER

5504-92-7

NORMAN SUSDAT

FDA SRS

AK6L8LX7FX

PubChem

79640

ChemSpider

71943.0

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

2-BROMO-N-(4-CHLORO-2-(2-CHLOROBENZOYL)PHENYL)ACETAMIDE

Structure

Physicochemical Descriptors

Cross References