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

C21H18FNO3 — CID 5294745

IUPAC4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCc1ccc(C2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C21H18FNO3/c1-2-13-6-8-14(9-7-13)17-11-19(24)23(16-5-3-4-15(22)10-16)18-12-26-21(25)20(17)18/h3-10,17H,2,11-12H2,1H3
InChIKeyQKBMVLAHRXYMHO-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.72
Rot. Bonds3

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

4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 5294745) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID5294745
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCc1ccc(C2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C21H18FNO3/c1-2-13-6-8-14(9-7-13)17-11-19(24)23(16-5-3-4-15(22)10-16)18-12-26-21(25)20(17)18/h3-10,17H,2,11-12H2,1H3
InChIKeyQKBMVLAHRXYMHO-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
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
6-Ethyl-4-(2-hydroxyethyl)-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one
CID 118715255
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 4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 5294745) is 4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is CCc1ccc(C2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is QKBMVLAHRXYMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-2-13-6-8-14(9-7-13)17-11-19(24)23(16-5-3-4-15(22)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-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
4-(4-ethylphenyl)-1-(3-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-(3-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 5294745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).