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

C22H18F3NO3 — CID 5294752

IUPAC1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(c3ccc(C(F)(F)F)cc3)C3=C2COC3=O)c1
InChIInChI=1S/C22H18F3NO3/c1-12-7-13(2)9-16(8-12)26-18-11-29-21(28)20(18)17(10-19(26)27)14-3-5-15(6-4-14)22(23,24)25/h3-9,17H,10-11H2,1-2H3
InChIKeyZEFYQWVIHSTVQZ-UHFFFAOYSA-N
MW401.38 g/mol
LogP4.65
Rot. Bonds2

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

1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 5294752) has the molecular formula C22H18F3NO3 and a molecular weight of 401.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID5294752
Molecular FormulaC22H18F3NO3
Molecular Weight401.38 g/mol
Exact Mass401.12
IUPAC Name1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESCc1cc(C)cc(N2C(=O)CC(c3ccc(C(F)(F)F)cc3)C3=C2COC3=O)c1
InChIInChI=1S/C22H18F3NO3/c1-12-7-13(2)9-16(8-12)26-18-11-29-21(28)20(18)17(10-19(26)27)14-3-5-15(6-4-14)22(23,24)25/h3-9,17H,10-11H2,1-2H3
InChIKeyZEFYQWVIHSTVQZ-UHFFFAOYSA-N
XLogP4.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 5294752) is 1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is Cc1cc(C)cc(N2C(=O)CC(c3ccc(C(F)(F)F)cc3)C3=C2COC3=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is ZEFYQWVIHSTVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3/c1-12-7-13(2)9-16(8-12)26-18-11-29-21(28)20(18)17(10-19(26)27)14-3-5-15(6-4-14)22(23,24)25/h3-9,17H,10-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
1-(3,5-dimethylphenyl)-4-[4-(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 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 5294752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).