EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	F7GFJ4989U
EPA CompTox	DTXSID20180833

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

F7GFJ4989U

EPA CompTox

DTXSID20180833


InChI Key	VUOFGWLJEBESHL-UHFFFAOYSA-N
Smiles	CN(C(=O)CCl)c1ccccc1
InChI	InChI=1S/C9H10ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChI Key

VUOFGWLJEBESHL-UHFFFAOYSA-N

Smiles

CN(C(=O)CCl)c1ccccc1

InChI

InChI=1S/C9H10ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3

Property Name	Value
Molecular Formula	C9H10Cl1N1O1
Molecular Weight	183.05
AlogP	1.89
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	20.31
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H10Cl1N1O1

Molecular Weight

183.05

AlogP

1.89

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

20.31

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	2620-05-5
NORMAN SUSDAT
FDA SRS	F7GFJ4989U
PubChem	75797
ChemSpider	68306.0

Resources

Reference

CAS NUMBER

2620-05-5

NORMAN SUSDAT

FDA SRS

F7GFJ4989U

PubChem

75797

ChemSpider

68306.0

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-CHLORO-N-METHYL-N-PHENYLACETAMIDE

Structure

Physicochemical Descriptors

Cross References