2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide

C21H18ClN3O4 — CID 91894858

About 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide

2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 91894858) has the molecular formula C21H18ClN3O4 and a molecular weight of 411.85 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
• PubChem CID: 91894858
• Molecular Formula: C21H18ClN3O4
• Molecular Weight: 411.85 g/mol
• Exact Mass: 411.10
• IUPAC Name: 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
• SMILES: CN(C(=O)CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)c1ccccc1
• InChI: InChI=1S/C21H18ClN3O4/c1-24(15-5-3-2-4-6-15)17(26)11-25-16-12-29-20(27)18(16)19(23-21(25)28)13-7-9-14(22)10-8-13/h2-10,19H,11-12H2,1H3,(H,23,28)
• InChIKey: SFQWBXCTCBSTBY-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.85
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide?

The IUPAC name of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide (CID 91894858) is 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide.

What is the SMILES notation for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide?

The canonical SMILES for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)c1ccccc1.

What is the InChIKey of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide?

The InChIKey is SFQWBXCTCBSTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4/c1-24(15-5-3-2-4-6-15)17(26)11-25-16-12-29-20(27)18(16)19(23-21(25)28)13-7-9-14(22)10-8-13/h2-10,19H,11-12H2,1H3,(H,23,28).

What are the key properties of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide?

2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 411.85 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 91894858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).