2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide

C12H9BrClN3O3 — CID 107104201

IUPAC2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide
SMILESO=C(Cn1c(=O)[nH]cc(Br)c1=O)Nc1ccccc1Cl
InChIInChI=1S/C12H9BrClN3O3/c13-7-5-15-12(20)17(11(7)19)6-10(18)16-9-4-2-1-3-8(9)14/h1-5H,6H2,(H,15,20)(H,16,18)
InChIKeyPYPIZBGNVACYNP-UHFFFAOYSA-N
MW358.58 g/mol
LogP1.59
Rot. Bonds3

About 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide

2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide (PubChem CID 107104201) has the molecular formula C12H9BrClN3O3 and a molecular weight of 358.58 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide
PubChem CID107104201
Molecular FormulaC12H9BrClN3O3
Molecular Weight358.58 g/mol
Exact Mass356.95
IUPAC Name2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide
SMILESO=C(Cn1c(=O)[nH]cc(Br)c1=O)Nc1ccccc1Cl
InChIInChI=1S/C12H9BrClN3O3/c13-7-5-15-12(20)17(11(7)19)6-10(18)16-9-4-2-1-3-8(9)14/h1-5H,6H2,(H,15,20)(H,16,18)
InChIKeyPYPIZBGNVACYNP-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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Related Compounds

N-(2-chlorophenyl)-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
CID 103600179
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 27448932
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 114583560
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55304277
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4779873
N-(2-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721690

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide (CID 107104201) is 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide is O=C(Cn1c(=O)[nH]cc(Br)c1=O)Nc1ccccc1Cl.
What is the InChIKey of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide?
The InChIKey is PYPIZBGNVACYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O3/c13-7-5-15-12(20)17(11(7)19)6-10(18)16-9-4-2-1-3-8(9)14/h1-5H,6H2,(H,15,20)(H,16,18).
What are the key properties of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide?
2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-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-dioxo-1H-pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 107104201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).