2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide

C16H18ClN3O4 — CID 2148508

IUPAC2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide
SMILESCn1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H18ClN3O4/c1-16(2,24-11-7-5-10(17)6-8-11)14(22)18-12-9-13(21)20(4)15(23)19(12)3/h5-9H,1-4H3,(H,18,22)
InChIKeyPUMCQAZVHYAMNZ-UHFFFAOYSA-N
MW351.79 g/mol
LogP1.53
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide (PubChem CID 2148508) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide
PubChem CID2148508
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide
SMILESCn1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H18ClN3O4/c1-16(2,24-11-7-5-10(17)6-8-11)14(22)18-12-9-13(21)20(4)15(23)19(12)3/h5-9H,1-4H3,(H,18,22)
InChIKeyPUMCQAZVHYAMNZ-UHFFFAOYSA-N
XLogP1.53
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide (CID 2148508) is 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide is Cn1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide?
The InChIKey is PUMCQAZVHYAMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-16(2,24-11-7-5-10(17)6-8-11)14(22)18-12-9-13(21)20(4)15(23)19(12)3/h5-9H,1-4H3,(H,18,22).
What are the key properties of 2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide has a molecular weight of 351.79 g/mol, XLogP of 1.53, 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-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 2148508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).