6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide

C21H22F4N2O3 — CID 91140446

IUPAC6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc2c(o1)CN(C(=O)c1cc(F)ccc1C(F)(F)F)CC2
InChIInChI=1S/C21H22F4N2O3/c1-12(2)5-7-26-19(28)17-9-13-6-8-27(11-18(13)30-17)20(29)15-10-14(22)3-4-16(15)21(23,24)25/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,26,28)
InChIKeyXBBTWHMMYYHWQQ-UHFFFAOYSA-N
MW426.41 g/mol
LogP4.41
Rot. Bonds5

About 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide

6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 91140446) has the molecular formula C21H22F4N2O3 and a molecular weight of 426.41 g/mol. Its IUPAC name is 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID91140446
Molecular FormulaC21H22F4N2O3
Molecular Weight426.41 g/mol
Exact Mass426.16
IUPAC Name6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc2c(o1)CN(C(=O)c1cc(F)ccc1C(F)(F)F)CC2
InChIInChI=1S/C21H22F4N2O3/c1-12(2)5-7-26-19(28)17-9-13-6-8-27(11-18(13)30-17)20(29)15-10-14(22)3-4-16(15)21(23,24)25/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,26,28)
InChIKeyXBBTWHMMYYHWQQ-UHFFFAOYSA-N
XLogP4.41
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide (CID 91140446) is 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide is CC(C)CCNC(=O)c1cc2c(o1)CN(C(=O)c1cc(F)ccc1C(F)(F)F)CC2.
What is the InChIKey of 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is XBBTWHMMYYHWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N2O3/c1-12(2)5-7-26-19(28)17-9-13-6-8-27(11-18(13)30-17)20(29)15-10-14(22)3-4-16(15)21(23,24)25/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,26,28).
What are the key properties of 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide?
6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 426.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-2-(trifluoromethyl)benzoyl]-N-(3-methylbutyl)-5,7-dihydro-4H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 91140446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).