EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z37H7EQV95
EPA CompTox	DTXSID70172940

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z37H7EQV95

EPA CompTox

DTXSID70172940


InChI Key	LCOPCEDFGGUYRD-UHFFFAOYSA-N
Smiles	CN(C(=O)c1ccccc1)c1ccccc1
InChI	InChI=1S/C14H13NO/c1-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11H,1H3

InChI Key

LCOPCEDFGGUYRD-UHFFFAOYSA-N

Smiles

CN(C(=O)c1ccccc1)c1ccccc1

InChI

InChI=1S/C14H13NO/c1-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11H,1H3

Property Name	Value
Molecular Formula	C14H13N1O1
Molecular Weight	211.1
AlogP	2.96
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	20.31
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H13N1O1

Molecular Weight

211.1

AlogP

2.96

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

20.31

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	1934-92-5
NORMAN SUSDAT
FDA SRS	Z37H7EQV95
PubChem	74736
ChemSpider	21940.0

Resources

Reference

CAS NUMBER

1934-92-5

NORMAN SUSDAT

FDA SRS

Z37H7EQV95

PubChem

74736

ChemSpider

21940.0

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-METHYLBENZANILIDE

Structure

Physicochemical Descriptors

Cross References