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

C12H9BrClN3O3 — CID 27448932

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccccc1Cl
InChIInChI=1S/C12H9BrClN3O3/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)
InChIKeyGIYYXGMUDQQIFO-UHFFFAOYSA-N
MW358.58 g/mol
LogP1.59
Rot. Bonds3

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

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide (PubChem CID 27448932) has the molecular formula C12H9BrClN3O3 and a molecular weight of 358.58 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
PubChem CID27448932
Molecular FormulaC12H9BrClN3O3
Molecular Weight358.58 g/mol
Exact Mass356.95
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccccc1Cl
InChIInChI=1S/C12H9BrClN3O3/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)
InChIKeyGIYYXGMUDQQIFO-UHFFFAOYSA-N
XLogP1.59
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.58
LogP ≤ 51.59
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-chlorophenyl)acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide (CID 27448932) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide is O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccccc1Cl.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide?
The InChIKey is GIYYXGMUDQQIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O3/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-chlorophenyl)acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide has a molecular weight of 358.58 g/mol, XLogP of 1.59, 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-chlorophenyl)acetamide is sourced from PubChem (CID 27448932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).