2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide

C12H11ClN4O3 — CID 63801302

IUPAC2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide
SMILESNc1cn(CC(=O)Nc2cccc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11ClN4O3/c13-7-2-1-3-8(4-7)15-10(18)6-17-5-9(14)11(19)16-12(17)20/h1-5H,6,14H2,(H,15,18)(H,16,19,20)
InChIKeyXWAIPYVXSWEGJF-UHFFFAOYSA-N
MW294.70 g/mol
LogP0.41
Rot. Bonds3

About 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide

2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide (PubChem CID 63801302) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide
PubChem CID63801302
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide
SMILESNc1cn(CC(=O)Nc2cccc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11ClN4O3/c13-7-2-1-3-8(4-7)15-10(18)6-17-5-9(14)11(19)16-12(17)20/h1-5H,6,14H2,(H,15,18)(H,16,19,20)
InChIKeyXWAIPYVXSWEGJF-UHFFFAOYSA-N
XLogP0.41
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 63800080
N-(3-amino-4-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63557982
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 63799556
2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide
CID 103961932
N-(3-chlorophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2746340
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
N-(3-chlorophenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906489
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
methyl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate
CID 63799383
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
CID 116621944
N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9412227

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide (CID 63801302) is 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide is Nc1cn(CC(=O)Nc2cccc(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide?
The InChIKey is XWAIPYVXSWEGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c13-7-2-1-3-8(4-7)15-10(18)6-17-5-9(14)11(19)16-12(17)20/h1-5H,6,14H2,(H,15,18)(H,16,19,20).
What are the key properties of 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide?
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide has a molecular weight of 294.70 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 63801302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).