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

C17H20ClN3O3 — CID 121119643

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 Name2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID121119643
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-(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
XLogP2.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 90515636
2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119555
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
CID 121119228
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
CID 90515888
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 121119568
(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 31528376
2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119224
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
2-(3,5-dimethylphenoxy)-N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]propanamide
CID 121106658
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123

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).