2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide

C12H9BrFN3O3 — CID 27449104

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccccc1F
InChIInChI=1S/C12H9BrFN3O3/c13-7-5-17(12(20)16-11(7)19)6-10(18)15-9-4-2-1-3-8(9)14/h1-5H,6H2,(H,15,18)(H,16,19,20)
InChIKeyRPOAIPGCDJGEPA-UHFFFAOYSA-N
MW342.12 g/mol
LogP1.08
Rot. Bonds3

About 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 27449104) has the molecular formula C12H9BrFN3O3 and a molecular weight of 342.12 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
PubChem CID27449104
Molecular FormulaC12H9BrFN3O3
Molecular Weight342.12 g/mol
Exact Mass340.98
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccccc1F
InChIInChI=1S/C12H9BrFN3O3/c13-7-5-17(12(20)16-11(7)19)6-10(18)15-9-4-2-1-3-8(9)14/h1-5H,6H2,(H,15,18)(H,16,19,20)
InChIKeyRPOAIPGCDJGEPA-UHFFFAOYSA-N
XLogP1.08
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide (CID 27449104) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide is O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccccc1F.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is RPOAIPGCDJGEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O3/c13-7-5-17(12(20)16-11(7)19)6-10(18)15-9-4-2-1-3-8(9)14/h1-5H,6H2,(H,15,18)(H,16,19,20).
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 342.12 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 27449104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).