2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide

Name: 2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₀ClN₃O₃ — CID 121119643

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

IUPAC2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide

SMILESCCc1cc(=O)n(CCNC(=O)C(C)Oc2cccc(Cl)c2)cn1

InChIInChI=1S/C17H20ClN3O3/c1-3-14-10-16(22)21(11-20-14)8-7-19-17(23)12(2)24-15-6-4-5-13(18)9-15/h4-6,9-12H,3,7-8H2,1-2H3,(H,19,23)

InChIKeyHTLUCTDNTQMEOU-UHFFFAOYSA-N

MW349.82 g/mol

LogP2.04

Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide

2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 121119643) has the molecular formula C₁₇H₂₀ClN₃O₃ and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name	2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID	121119643
Molecular Formula	C₁₇H₂₀ClN₃O₃
Molecular Weight	349.82 g/mol
Exact Mass	349.12
IUPAC Name	2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILES	CCc1cc(=O)n(CCNC(=O)C(C)Oc2cccc(Cl)c2)cn1
InChI	InChI=1S/C17H20ClN3O3/c1-3-14-10-16(22)21(11-20-14)8-7-19-17(23)12(2)24-15-6-4-5-13(18)9-15/h4-6,9-12H,3,7-8H2,1-2H3,(H,19,23)
InChIKey	HTLUCTDNTQMEOU-UHFFFAOYSA-N
XLogP	2.04
TPSA	73.22 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.82
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?

The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide (CID 121119643) is 2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide.

What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?

The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide is CCc1cc(=O)n(CCNC(=O)C(C)Oc2cccc(Cl)c2)cn1.

What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?

The InChIKey is HTLUCTDNTQMEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-3-14-10-16(22)21(11-20-14)8-7-19-17(23)12(2)24-15-6-4-5-13(18)9-15/h4-6,9-12H,3,7-8H2,1-2H3,(H,19,23).

What are the key properties of 2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?

2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 349.82 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 121119643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121119643 — identifiers, structure, computed properties (public domain)

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