2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide

C17H15BrFN3O4 — CID 86878943

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
SMILESCc1c(C(C)NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)oc2ccc(F)cc12
InChIInChI=1S/C17H15BrFN3O4/c1-8-11-5-10(19)3-4-13(11)26-15(8)9(2)20-14(23)7-22-6-12(18)16(24)21-17(22)25/h3-6,9H,7H2,1-2H3,(H,20,23)(H,21,24,25)
InChIKeyYINYYSZHFFTKJQ-UHFFFAOYSA-N
MW424.23 g/mol
LogP2.37
Rot. Bonds4

About 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide (PubChem CID 86878943) has the molecular formula C17H15BrFN3O4 and a molecular weight of 424.23 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
PubChem CID86878943
Molecular FormulaC17H15BrFN3O4
Molecular Weight424.23 g/mol
Exact Mass423.02
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
SMILESCc1c(C(C)NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)oc2ccc(F)cc12
InChIInChI=1S/C17H15BrFN3O4/c1-8-11-5-10(19)3-4-13(11)26-15(8)9(2)20-14(23)7-22-6-12(18)16(24)21-17(22)25/h3-6,9H,7H2,1-2H3,(H,20,23)(H,21,24,25)
InChIKeyYINYYSZHFFTKJQ-UHFFFAOYSA-N
XLogP2.37
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide
CID 95333207
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(2S)-2-[[2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 119943030
N-[(2S)-1-aminopropan-2-yl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide
CID 120506605
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]acetamide
CID 86941016
3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide
CID 95325813
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438593
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 86881077
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[2-(methylamino)propyl]acetamide
CID 120830531
1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 166532876
N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-N-[3-(2-methylpropanoylamino)phenyl]oxamide
CID 86881184
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide (CID 86878943) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide is Cc1c(C(C)NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)oc2ccc(F)cc12.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide?
The InChIKey is YINYYSZHFFTKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O4/c1-8-11-5-10(19)3-4-13(11)26-15(8)9(2)20-14(23)7-22-6-12(18)16(24)21-17(22)25/h3-6,9H,7H2,1-2H3,(H,20,23)(H,21,24,25).
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide has a molecular weight of 424.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 86878943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).