2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C13H12ClN3O4 — CID 3072464

IUPAC2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O4/c1-7-11(12(19)17-13(20)15-7)16-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,16,18)(H2,15,17,19,20)
InChIKeyJAEPFAUDGLVTSX-UHFFFAOYSA-N
MW309.71 g/mol
LogP1.04
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 3072464) has the molecular formula C13H12ClN3O4 and a molecular weight of 309.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID3072464
Molecular FormulaC13H12ClN3O4
Molecular Weight309.71 g/mol
Exact Mass309.05
IUPAC Name2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O4/c1-7-11(12(19)17-13(20)15-7)16-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,16,18)(H2,15,17,19,20)
InChIKeyJAEPFAUDGLVTSX-UHFFFAOYSA-N
XLogP1.04
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 3072464) is 2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is JAEPFAUDGLVTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4/c1-7-11(12(19)17-13(20)15-7)16-10(18)6-21-9-4-2-8(14)3-5-9/h2-5H,6H2,1H3,(H,16,18)(H2,15,17,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 309.71 g/mol, XLogP of 1.04, 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-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 3072464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).