EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	13P4GX22ES
EPA CompTox	DTXSID7046120

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

13P4GX22ES

EPA CompTox

DTXSID7046120


InChI Key	WCIBOXFOUGQLFC-UHFFFAOYSA-N
Smiles	O=C(C1=CC=C(F)C=C1)CCCN2CCC(C(=O)C3=CC=C(F)C=C3)CC2
InChI	InChI=1/C22H23F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18H,1-2,11-15H2

InChI Key

WCIBOXFOUGQLFC-UHFFFAOYSA-N

Smiles

O=C(C1=CC=C(F)C=C1)CCCN2CCC(C(=O)C3=CC=C(F)C=C3)CC2

InChI

InChI=1/C22H23F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18H,1-2,11-15H2

Property Name	Value
Molecular Formula	C22H23F2NO2
Molecular Weight	371.17
AlogP	4.52
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	37.38
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C22H23F2NO2

Molecular Weight

371.17

AlogP

4.52

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

37.38

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	24678-13-5
NORMAN SUSDAT
FDA SRS	13P4GX22ES
PubChem	32593

Resources

Reference

CAS NUMBER

24678-13-5

NORMAN SUSDAT

FDA SRS

13P4GX22ES

PubChem

32593

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

LENPERONE

Structure

Physicochemical Descriptors

Cross References