1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

C20H16FNO4 — CID 4973830

IUPAC1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C20H16FNO4/c1-25-15-8-2-12(3-9-15)16-10-18(23)22(14-6-4-13(21)5-7-14)17-11-26-20(24)19(16)17/h2-9,16H,10-11H2,1H3
InChIKeyXCWFXLBDFVVOLZ-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 4973830) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID4973830
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCOc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C20H16FNO4/c1-25-15-8-2-12(3-9-15)16-10-18(23)22(14-6-4-13(21)5-7-14)17-11-26-20(24)19(16)17/h2-9,16H,10-11H2,1H3
InChIKeyXCWFXLBDFVVOLZ-UHFFFAOYSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 4973830) is 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is COc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is XCWFXLBDFVVOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c1-25-15-8-2-12(3-9-15)16-10-18(23)22(14-6-4-13(21)5-7-14)17-11-26-20(24)19(16)17/h2-9,16H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 353.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 4973830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).