5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide

C13H11FN4O2 — CID 78928012

IUPAC5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc(NC(=O)c2oc3ccc(F)cc3c2C)n[nH]1
InChIInChI=1S/C13H11FN4O2/c1-6-9-5-8(14)3-4-10(9)20-11(6)12(19)16-13-15-7(2)17-18-13/h3-5H,1-2H3,(H2,15,16,17,18,19)
InChIKeyYBTMXPSFVAFSFZ-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.56
Rot. Bonds2

About 5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 78928012) has the molecular formula C13H11FN4O2 and a molecular weight of 274.26 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID78928012
Molecular FormulaC13H11FN4O2
Molecular Weight274.26 g/mol
Exact Mass274.09
IUPAC Name5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc(NC(=O)c2oc3ccc(F)cc3c2C)n[nH]1
InChIInChI=1S/C13H11FN4O2/c1-6-9-5-8(14)3-4-10(9)20-11(6)12(19)16-13-15-7(2)17-18-13/h3-5H,1-2H3,(H2,15,16,17,18,19)
InChIKeyYBTMXPSFVAFSFZ-UHFFFAOYSA-N
XLogP2.56
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide (CID 78928012) is 5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide is Cc1nc(NC(=O)c2oc3ccc(F)cc3c2C)n[nH]1.
What is the InChIKey of 5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is YBTMXPSFVAFSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c1-6-9-5-8(14)3-4-10(9)20-11(6)12(19)16-13-15-7(2)17-18-13/h3-5H,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 274.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78928012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).