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

C21H18FNO4 — CID 4920498

IUPAC4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCOc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C21H18FNO4/c1-2-26-16-9-3-13(4-10-16)17-11-19(24)23(15-7-5-14(22)6-8-15)18-12-27-21(25)20(17)18/h3-10,17H,2,11-12H2,1H3
InChIKeyRWSFFPPEZVFGPI-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.56
Rot. Bonds4

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

4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 4920498) has the molecular formula C21H18FNO4 and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID4920498
Molecular FormulaC21H18FNO4
Molecular Weight367.38 g/mol
Exact Mass367.12
IUPAC Name4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCOc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C21H18FNO4/c1-2-26-16-9-3-13(4-10-16)17-11-19(24)23(15-7-5-14(22)6-8-15)18-12-27-21(25)20(17)18/h3-10,17H,2,11-12H2,1H3
InChIKeyRWSFFPPEZVFGPI-UHFFFAOYSA-N
XLogP3.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 4920498) is 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is CCOc1ccc(C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is RWSFFPPEZVFGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO4/c1-2-26-16-9-3-13(4-10-16)17-11-19(24)23(15-7-5-14(22)6-8-15)18-12-27-21(25)20(17)18/h3-10,17H,2,11-12H2,1H3.
What are the key properties of 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 367.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 4920498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).