2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide

C15H16ClN3O4 — CID 3072465

IUPAC2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide
SMILESCc1c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H16ClN3O4/c1-9-13(14(21)19(3)15(22)18(9)2)17-12(20)8-23-11-6-4-10(16)5-7-11/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeyMCMMETANDKEDON-UHFFFAOYSA-N
MW337.76 g/mol
LogP1.06
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide

2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide (PubChem CID 3072465) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide
PubChem CID3072465
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide
SMILESCc1c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H16ClN3O4/c1-9-13(14(21)19(3)15(22)18(9)2)17-12(20)8-23-11-6-4-10(16)5-7-11/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeyMCMMETANDKEDON-UHFFFAOYSA-N
XLogP1.06
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide (CID 3072465) is 2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide is Cc1c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide?
The InChIKey is MCMMETANDKEDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-9-13(14(21)19(3)15(22)18(9)2)17-12(20)8-23-11-6-4-10(16)5-7-11/h4-7H,8H2,1-3H3,(H,17,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide has a molecular weight of 337.76 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide is sourced from PubChem (CID 3072465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).