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

C17H17FN4O2 — CID 646592

IUPAC1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide
SMILESCC(c1ccccc1F)n1cc(C(=O)NCCc2ccco2)nn1
InChIInChI=1S/C17H17FN4O2/c1-12(14-6-2-3-7-15(14)18)22-11-16(20-21-22)17(23)19-9-8-13-5-4-10-24-13/h2-7,10-12H,8-9H2,1H3,(H,19,23)
InChIKeyDHOVKAOZPJGRFG-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.59
Rot. Bonds6

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

1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 646592) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide
PubChem CID646592
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide
SMILESCC(c1ccccc1F)n1cc(C(=O)NCCc2ccco2)nn1
InChIInChI=1S/C17H17FN4O2/c1-12(14-6-2-3-7-15(14)18)22-11-16(20-21-22)17(23)19-9-8-13-5-4-10-24-13/h2-7,10-12H,8-9H2,1H3,(H,19,23)
InChIKeyDHOVKAOZPJGRFG-UHFFFAOYSA-N
XLogP2.59
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide (CID 646592) is 1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide is CC(c1ccccc1F)n1cc(C(=O)NCCc2ccco2)nn1.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is DHOVKAOZPJGRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-12(14-6-2-3-7-15(14)18)22-11-16(20-21-22)17(23)19-9-8-13-5-4-10-24-13/h2-7,10-12H,8-9H2,1H3,(H,19,23).
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide?
1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]-N-[2-(furan-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 646592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).