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

C20H16FNO3 — CID 4920424

IUPAC4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2COC3=O)c1
InChIInChI=1S/C20H16FNO3/c1-12-3-2-4-15(9-12)22-17-11-25-20(24)19(17)16(10-18(22)23)13-5-7-14(21)8-6-13/h2-9,16H,10-11H2,1H3
InChIKeySHDNVKOULYNXLZ-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.47
Rot. Bonds2

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

4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 4920424) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID4920424
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2COC3=O)c1
InChIInChI=1S/C20H16FNO3/c1-12-3-2-4-15(9-12)22-17-11-25-20(24)19(17)16(10-18(22)23)13-5-7-14(21)8-6-13/h2-9,16H,10-11H2,1H3
InChIKeySHDNVKOULYNXLZ-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 4920424) is 4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is Cc1cccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2COC3=O)c1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is SHDNVKOULYNXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-12-3-2-4-15(9-12)22-17-11-25-20(24)19(17)16(10-18(22)23)13-5-7-14(21)8-6-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 337.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 4920424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).