5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide

C24H20F2N4O2 — CID 154685928

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)nnn2C2CCCC2)o1
InChIInChI=1S/C24H20F2N4O2/c25-16-11-9-15(10-12-16)22-23(30(29-28-22)17-5-1-2-6-17)20-13-14-21(32-20)24(31)27-19-8-4-3-7-18(19)26/h3-4,7-14,17H,1-2,5-6H2,(H,27,31)
InChIKeyLHVZPJUABQVMIA-UHFFFAOYSA-N
MW434.45 g/mol
LogP5.85
Rot. Bonds5

About 5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide

5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 154685928) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide
PubChem CID154685928
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)nnn2C2CCCC2)o1
InChIInChI=1S/C24H20F2N4O2/c25-16-11-9-15(10-12-16)22-23(30(29-28-22)17-5-1-2-6-17)20-13-14-21(32-20)24(31)27-19-8-4-3-7-18(19)26/h3-4,7-14,17H,1-2,5-6H2,(H,27,31)
InChIKeyLHVZPJUABQVMIA-UHFFFAOYSA-N
XLogP5.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide (CID 154685928) is 5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)nnn2C2CCCC2)o1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is LHVZPJUABQVMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c25-16-11-9-15(10-12-16)22-23(30(29-28-22)17-5-1-2-6-17)20-13-14-21(32-20)24(31)27-19-8-4-3-7-18(19)26/h3-4,7-14,17H,1-2,5-6H2,(H,27,31).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)triazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 154685928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).