2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide

Name: 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₉Cl₂N₃O₃ — CID 121119555

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide

SMILESCCc1cc(=O)n(CCNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cn1

InChIInChI=1S/C17H19Cl2N3O3/c1-3-13-9-16(23)22(10-21-13)7-6-20-17(24)11(2)25-15-5-4-12(18)8-14(15)19/h4-5,8-11H,3,6-7H2,1-2H3,(H,20,24)

InChIKeyWCKCTNRKGFEDLA-UHFFFAOYSA-N

MW384.26 g/mol

LogP2.70

Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide

2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 121119555) has the molecular formula C₁₇H₁₉Cl₂N₃O₃ and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name	2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID	121119555
Molecular Formula	C₁₇H₁₉Cl₂N₃O₃
Molecular Weight	384.26 g/mol
Exact Mass	383.08
IUPAC Name	2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILES	CCc1cc(=O)n(CCNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cn1
InChI	InChI=1S/C17H19Cl2N3O3/c1-3-13-9-16(23)22(10-21-13)7-6-20-17(24)11(2)25-15-5-4-12(18)8-14(15)19/h4-5,8-11H,3,6-7H2,1-2H3,(H,20,24)
InChIKey	WCKCTNRKGFEDLA-UHFFFAOYSA-N
XLogP	2.70
TPSA	73.22 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.26
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide (CID 121119555) is 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide.

What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide is CCc1cc(=O)n(CCNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cn1.

What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?

The InChIKey is WCKCTNRKGFEDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3/c1-3-13-9-16(23)22(10-21-13)7-6-20-17(24)11(2)25-15-5-4-12(18)8-14(15)19/h4-5,8-11H,3,6-7H2,1-2H3,(H,20,24).

What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?

2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 384.26 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 121119555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121119555 — identifiers, structure, computed properties (public domain)

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