2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C14H14ClN3O4 — CID 3072463

IUPAC2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O4/c1-8-12(13(20)18(2)14(21)16-8)17-11(19)7-22-10-5-3-9(15)4-6-10/h3-6H,7H2,1-2H3,(H,16,21)(H,17,19)
InChIKeySTQMTFSWYIBLHG-UHFFFAOYSA-N
MW323.74 g/mol
LogP1.05
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 3072463) has the molecular formula C14H14ClN3O4 and a molecular weight of 323.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID3072463
Molecular FormulaC14H14ClN3O4
Molecular Weight323.74 g/mol
Exact Mass323.07
IUPAC Name2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O4/c1-8-12(13(20)18(2)14(21)16-8)17-11(19)7-22-10-5-3-9(15)4-6-10/h3-6H,7H2,1-2H3,(H,16,21)(H,17,19)
InChIKeySTQMTFSWYIBLHG-UHFFFAOYSA-N
XLogP1.05
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 3072463) is 2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1[nH]c(=O)n(C)c(=O)c1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is STQMTFSWYIBLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4/c1-8-12(13(20)18(2)14(21)16-8)17-11(19)7-22-10-5-3-9(15)4-6-10/h3-6H,7H2,1-2H3,(H,16,21)(H,17,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 323.74 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 3072463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).