EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RR4YAU8F8J
EPA CompTox	DTXSID50216275

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RR4YAU8F8J

EPA CompTox

DTXSID50216275


InChI Key	KLOZZZNFJYMTNE-UHFFFAOYSA-N
Smiles	O=C(N)C=1C(F)=CC=CC1Cl
InChI	InChI=1/C7H5ClFNO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)

InChI Key

KLOZZZNFJYMTNE-UHFFFAOYSA-N

Smiles

O=C(N)C=1C(F)=CC=CC1Cl

InChI

InChI=1/C7H5ClFNO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)

Property Name	Value
Molecular Formula	C7H5ClFNO
Molecular Weight	173.0
AlogP	2.36
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	44.08
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C7H5ClFNO

Molecular Weight

173.0

AlogP

2.36

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

44.08

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	66073-54-9
NORMAN SUSDAT
FDA SRS	RR4YAU8F8J
PubChem	98564

Resources

Reference

CAS NUMBER

66073-54-9

NORMAN SUSDAT

FDA SRS

RR4YAU8F8J

PubChem

98564

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...

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

Last update: Monday, 3 November 2025

2-CHLORO-6-FLUOROBENZAMIDE

Structure

Physicochemical Descriptors

Cross References