EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4PD003MFEO

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4PD003MFEO


InChI Key	PGOZOAJPDMEYFX-UHFFFAOYSA-N
Smiles	CN(CCO)CC(=O)N(C)c1ccc(Cl)cc1C(=O)c2ccccc2
InChI	InChI=1S/C19H21ClN2O3/c1-21(10-11-23)13-18(24)22(2)17-9-8-15(20)12-16(17)19(25)14-6-4-3-5-7-14/h3-9,12,23H,10-11,13H2,1-2H3

InChI Key

PGOZOAJPDMEYFX-UHFFFAOYSA-N

Smiles

CN(CCO)CC(=O)N(C)c1ccc(Cl)cc1C(=O)c2ccccc2

InChI

InChI=1S/C19H21ClN2O3/c1-21(10-11-23)13-18(24)22(2)17-9-8-15(20)12-16(17)19(25)14-6-4-3-5-7-14/h3-9,12,23H,10-11,13H2,1-2H3

Property Name	Value
Molecular Formula	C19H21Cl1N2O3
Molecular Weight	360.12
AlogP	2.46
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	60.85
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H21Cl1N2O3

Molecular Weight

360.12

AlogP

2.46

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

60.85

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	70541-17-2
NORMAN SUSDAT
FDA SRS	4PD003MFEO

Resources

Reference

CAS NUMBER

70541-17-2

NORMAN SUSDAT

FDA SRS

4PD003MFEO

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

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Structure

Physicochemical Descriptors

Cross References