7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide

C13H11BrN4O2 — CID 75519580

IUPAC7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(Br)c2oc(C(=O)Nc3ncnn3C)cc2c1
InChIInChI=1S/C13H11BrN4O2/c1-7-3-8-5-10(20-11(8)9(14)4-7)12(19)17-13-15-6-16-18(13)2/h3-6H,1-2H3,(H,15,16,17,19)
InChIKeyAZNMSKIQMJLLQE-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.88
Rot. Bonds2

About 7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide

7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 75519580) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is 7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID75519580
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC Name7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(Br)c2oc(C(=O)Nc3ncnn3C)cc2c1
InChIInChI=1S/C13H11BrN4O2/c1-7-3-8-5-10(20-11(8)9(14)4-7)12(19)17-13-15-6-16-18(13)2/h3-6H,1-2H3,(H,15,16,17,19)
InChIKeyAZNMSKIQMJLLQE-UHFFFAOYSA-N
XLogP2.88
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide (CID 75519580) is 7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide is Cc1cc(Br)c2oc(C(=O)Nc3ncnn3C)cc2c1.
What is the InChIKey of 7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is AZNMSKIQMJLLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c1-7-3-8-5-10(20-11(8)9(14)4-7)12(19)17-13-15-6-16-18(13)2/h3-6H,1-2H3,(H,15,16,17,19).
What are the key properties of 7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 75519580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).