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

C12H9BrN4O3 — CID 83101934

IUPAC7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cc3cccc(Br)c3o2)n1
InChIInChI=1S/C12H9BrN4O3/c1-19-12-15-11(16-17-12)14-10(18)8-5-6-3-2-4-7(13)9(6)20-8/h2-5H,1H3,(H2,14,15,16,17,18)
InChIKeyCVNNQIQRUCFZSP-UHFFFAOYSA-N
MW337.13 g/mol
LogP2.57
Rot. Bonds3

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

7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 83101934) has the molecular formula C12H9BrN4O3 and a molecular weight of 337.13 g/mol. Its IUPAC name is 7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID83101934
Molecular FormulaC12H9BrN4O3
Molecular Weight337.13 g/mol
Exact Mass335.99
IUPAC Name7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cc3cccc(Br)c3o2)n1
InChIInChI=1S/C12H9BrN4O3/c1-19-12-15-11(16-17-12)14-10(18)8-5-6-3-2-4-7(13)9(6)20-8/h2-5H,1H3,(H2,14,15,16,17,18)
InChIKeyCVNNQIQRUCFZSP-UHFFFAOYSA-N
XLogP2.57
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 47289802
7-bromo-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 39710609
3-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
CID 107519851
N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide
CID 43077303
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
CID 38928922
7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-methylbenzoate
CID 38908619
7-bromo-N-(2,5-difluorophenyl)-1-benzofuran-2-carboxamide
CID 38897845
7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 46450792
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-fluorobenzoate
CID 38939880
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 83093523

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide (CID 83101934) is 7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide is COc1n[nH]c(NC(=O)c2cc3cccc(Br)c3o2)n1.
What is the InChIKey of 7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is CVNNQIQRUCFZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O3/c1-19-12-15-11(16-17-12)14-10(18)8-5-6-3-2-4-7(13)9(6)20-8/h2-5H,1H3,(H2,14,15,16,17,18).
What are the key properties of 7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide?
7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 337.13 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 83101934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).