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

C20H15ClFN3O4 — CID 91894880

IUPAC2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1cccc(F)c1
InChIInChI=1S/C20H15ClFN3O4/c21-12-6-4-11(5-7-12)18-17-15(10-29-19(17)27)25(20(28)24-18)9-16(26)23-14-3-1-2-13(22)8-14/h1-8,18H,9-10H2,(H,23,26)(H,24,28)
InChIKeyKYHBJXFFARNNBX-UHFFFAOYSA-N
MW415.81 g/mol
LogP2.99
Rot. Bonds4

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

2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 91894880) has the molecular formula C20H15ClFN3O4 and a molecular weight of 415.81 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-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID91894880
Molecular FormulaC20H15ClFN3O4
Molecular Weight415.81 g/mol
Exact Mass415.07
IUPAC Name2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1cccc(F)c1
InChIInChI=1S/C20H15ClFN3O4/c21-12-6-4-11(5-7-12)18-17-15(10-29-19(17)27)25(20(28)24-18)9-16(26)23-14-3-1-2-13(22)8-14/h1-8,18H,9-10H2,(H,23,26)(H,24,28)
InChIKeyKYHBJXFFARNNBX-UHFFFAOYSA-N
XLogP2.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide (CID 91894880) is 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide.
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-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide is O=C(CN1C(=O)NC(c2ccc(Cl)cc2)C2=C1COC2=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is KYHBJXFFARNNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O4/c21-12-6-4-11(5-7-12)18-17-15(10-29-19(17)27)25(20(28)24-18)9-16(26)23-14-3-1-2-13(22)8-14/h1-8,18H,9-10H2,(H,23,26)(H,24,28).
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-(3-fluorophenyl)acetamide?
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 415.81 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 91894880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).