2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide

C14H14ClN3O3 — CID 3723759

IUPAC2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
SMILESCn1c(NC(=O)Cc2ccc(Cl)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H14ClN3O3/c1-17-11(8-13(20)18(2)14(17)21)16-12(19)7-9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,19)
InChIKeyPMVVWHVRGCBMDV-UHFFFAOYSA-N
MW307.74 g/mol
LogP0.92
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide

2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide (PubChem CID 3723759) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
PubChem CID3723759
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
SMILESCn1c(NC(=O)Cc2ccc(Cl)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H14ClN3O3/c1-17-11(8-13(20)18(2)14(17)21)16-12(19)7-9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,19)
InChIKeyPMVVWHVRGCBMDV-UHFFFAOYSA-N
XLogP0.92
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide (CID 3723759) is 2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide is Cn1c(NC(=O)Cc2ccc(Cl)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The InChIKey is PMVVWHVRGCBMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-17-11(8-13(20)18(2)14(17)21)16-12(19)7-9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide has a molecular weight of 307.74 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 3723759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).