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

C22H18F3NO3 — CID 5294777

IUPAC4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCc1ccc(C2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C22H18F3NO3/c1-2-13-6-8-14(9-7-13)17-11-19(27)26(18-12-29-21(28)20(17)18)16-5-3-4-15(10-16)22(23,24)25/h3-10,17H,2,11-12H2,1H3
InChIKeyBPJQOLNEWVKZRT-UHFFFAOYSA-N
MW401.38 g/mol
LogP4.60
Rot. Bonds3

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

4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 5294777) has the molecular formula C22H18F3NO3 and a molecular weight of 401.38 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID5294777
Molecular FormulaC22H18F3NO3
Molecular Weight401.38 g/mol
Exact Mass401.12
IUPAC Name4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCCc1ccc(C2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C22H18F3NO3/c1-2-13-6-8-14(9-7-13)17-11-19(27)26(18-12-29-21(28)20(17)18)16-5-3-4-15(10-16)22(23,24)25/h3-10,17H,2,11-12H2,1H3
InChIKeyBPJQOLNEWVKZRT-UHFFFAOYSA-N
XLogP4.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 54.60
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-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 5294777) is 4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is CCc1ccc(C2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is BPJQOLNEWVKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3/c1-2-13-6-8-14(9-7-13)17-11-19(27)26(18-12-29-21(28)20(17)18)16-5-3-4-15(10-16)22(23,24)25/h3-10,17H,2,11-12H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
4-(4-ethylphenyl)-1-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 401.38 g/mol, XLogP of 4.60, 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-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 5294777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).