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

C21H18FNO3 — CID 5294776

IUPAC1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2COC3=O)cc1
InChIInChI=1S/C21H18FNO3/c1-2-13-3-9-16(10-4-13)23-18-12-26-21(25)20(18)17(11-19(23)24)14-5-7-15(22)8-6-14/h3-10,17H,2,11-12H2,1H3
InChIKeyPFVHQKCHGMGDRC-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.72
Rot. Bonds3

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

1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 5294776) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID5294776
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2COC3=O)cc1
InChIInChI=1S/C21H18FNO3/c1-2-13-3-9-16(10-4-13)23-18-12-26-21(25)20(18)17(11-19(23)24)14-5-7-15(22)8-6-14/h3-10,17H,2,11-12H2,1H3
InChIKeyPFVHQKCHGMGDRC-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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Related Compounds

4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920424
1-(3-fluorophenyl)-4-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4901500
4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 5294745
1-(4-fluorophenyl)-4-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920462
4-(4-fluorophenyl)-1-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920415
4-(4-chlorophenyl)-1-(4-fluorophenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920492
4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 5294777
1,4-diphenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920416
1,4-bis(4-fluorophenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920460
ethyl 1-(4-fluorophenyl)-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 11439125
Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxylate
CID 21110168
4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920461

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 5294776) is 1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is CCc1ccc(N2C(=O)CC(c3ccc(F)cc3)C3=C2COC3=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is PFVHQKCHGMGDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-2-13-3-9-16(10-4-13)23-18-12-26-21(25)20(18)17(11-19(23)24)14-5-7-15(22)8-6-14/h3-10,17H,2,11-12H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
1-(4-ethylphenyl)-4-(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 1-(4-ethylphenyl)-4-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 5294776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).