2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

C12H10ClN3O4 — CID 2148523

IUPAC2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H10ClN3O4/c13-7-1-3-8(4-2-7)20-6-11(18)14-9-5-10(17)16-12(19)15-9/h1-5H,6H2,(H3,14,15,16,17,18,19)
InChIKeyVSIZDBGTNUGAJZ-UHFFFAOYSA-N
MW295.68 g/mol
LogP0.73
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 2148523) has the molecular formula C12H10ClN3O4 and a molecular weight of 295.68 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
PubChem CID2148523
Molecular FormulaC12H10ClN3O4
Molecular Weight295.68 g/mol
Exact Mass295.04
IUPAC Name2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H10ClN3O4/c13-7-1-3-8(4-2-7)20-6-11(18)14-9-5-10(17)16-12(19)15-9/h1-5H,6H2,(H3,14,15,16,17,18,19)
InChIKeyVSIZDBGTNUGAJZ-UHFFFAOYSA-N
XLogP0.73
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 308775
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CID 718039
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CID 2148508
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CID 3246750
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CID 44391389
CID 44391389
CID 718036
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CID 607301
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CID 3006111
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CID 97091
CID 97091

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (CID 2148523) is 2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is O=C(COc1ccc(Cl)cc1)Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is VSIZDBGTNUGAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4/c13-7-1-3-8(4-2-7)20-6-11(18)14-9-5-10(17)16-12(19)15-9/h1-5H,6H2,(H3,14,15,16,17,18,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 295.68 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 2148523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).