1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide

C18H19FN4O2 — CID 6488122

IUPAC1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide
SMILESCCC(c1ccc(F)cc1)n1cc(C(=O)NCCc2ccco2)nn1
InChIInChI=1S/C18H19FN4O2/c1-2-17(13-5-7-14(19)8-6-13)23-12-16(21-22-23)18(24)20-10-9-15-4-3-11-25-15/h3-8,11-12,17H,2,9-10H2,1H3,(H,20,24)
InChIKeyIYESBPUOXDAYDB-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.98
Rot. Bonds7

About 1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide

1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 6488122) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide
PubChem CID6488122
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide
SMILESCCC(c1ccc(F)cc1)n1cc(C(=O)NCCc2ccco2)nn1
InChIInChI=1S/C18H19FN4O2/c1-2-17(13-5-7-14(19)8-6-13)23-12-16(21-22-23)18(24)20-10-9-15-4-3-11-25-15/h3-8,11-12,17H,2,9-10H2,1H3,(H,20,24)
InChIKeyIYESBPUOXDAYDB-UHFFFAOYSA-N
XLogP2.98
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide (CID 6488122) is 1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide is CCC(c1ccc(F)cc1)n1cc(C(=O)NCCc2ccco2)nn1.
What is the InChIKey of 1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is IYESBPUOXDAYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-2-17(13-5-7-14(19)8-6-13)23-12-16(21-22-23)18(24)20-10-9-15-4-3-11-25-15/h3-8,11-12,17H,2,9-10H2,1H3,(H,20,24).
What are the key properties of 1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide?
1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 6488122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).