2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

C16H17F2N3O3 — CID 71795155

IUPAC2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCCc1cc(=O)n(CCNC(=O)COc2ccc(F)cc2F)cn1
InChIInChI=1S/C16H17F2N3O3/c1-2-12-8-16(23)21(10-20-12)6-5-19-15(22)9-24-14-4-3-11(17)7-13(14)18/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,19,22)
InChIKeyCZSSUTQLDKEAIP-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.28
Rot. Bonds7

About 2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 71795155) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID71795155
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCCc1cc(=O)n(CCNC(=O)COc2ccc(F)cc2F)cn1
InChIInChI=1S/C16H17F2N3O3/c1-2-12-8-16(23)21(10-20-12)6-5-19-15(22)9-24-14-4-3-11(17)7-13(14)18/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,19,22)
InChIKeyCZSSUTQLDKEAIP-UHFFFAOYSA-N
XLogP1.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 45484801
CID 45484801
CID 118017683
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CID 7217024
CID 7217024
CID 16799377
CID 16799377
CID 18566206
CID 18566206
CID 45484785
CID 45484785
CID 135449279
CID 135449279
CID 12661860
CID 12661860
CID 10405848
CID 10405848
CID 10473299
CID 10473299
CID 122630851
CID 122630851
CID 27378048
CID 27378048

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 71795155) is 2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is CCc1cc(=O)n(CCNC(=O)COc2ccc(F)cc2F)cn1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is CZSSUTQLDKEAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-2-12-8-16(23)21(10-20-12)6-5-19-15(22)9-24-14-4-3-11(17)7-13(14)18/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,19,22).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 337.33 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 71795155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).