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

C21H18FNO3 — CID 4920461

IUPAC4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C21H18FNO3/c1-2-13-3-5-14(6-4-13)17-11-19(24)23(16-9-7-15(22)8-10-16)18-12-26-21(25)20(17)18/h3-10,17H,2,11-12H2,1H3
InChIKeyGSZNGZMXNPDEPC-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.72
Rot. Bonds3

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

4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 4920461) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID4920461
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C21H18FNO3/c1-2-13-3-5-14(6-4-13)17-11-19(24)23(16-9-7-15(22)8-10-16)18-12-26-21(25)20(17)18/h3-10,17H,2,11-12H2,1H3
InChIKeyGSZNGZMXNPDEPC-UHFFFAOYSA-N
XLogP3.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 4920461) is 4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is CCc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is GSZNGZMXNPDEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-2-13-3-5-14(6-4-13)17-11-19(24)23(16-9-7-15(22)8-10-16)18-12-26-21(25)20(17)18/h3-10,17H,2,11-12H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 351.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 4920461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).