7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide

C16H18BrNO2 — CID 38911138

IUPAC7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cccc(Br)c3o2)CC1
InChIInChI=1S/C16H18BrNO2/c1-10-5-7-12(8-6-10)18-16(19)14-9-11-3-2-4-13(17)15(11)20-14/h2-4,9-10,12H,5-8H2,1H3,(H,18,19)
InChIKeyVWJVFNUHZLRQEX-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.50
Rot. Bonds2

About 7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide

7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide (PubChem CID 38911138) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
PubChem CID38911138
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3cccc(Br)c3o2)CC1
InChIInChI=1S/C16H18BrNO2/c1-10-5-7-12(8-6-10)18-16(19)14-9-11-3-2-4-13(17)15(11)20-14/h2-4,9-10,12H,5-8H2,1H3,(H,18,19)
InChIKeyVWJVFNUHZLRQEX-UHFFFAOYSA-N
XLogP4.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 78867681
7-bromo-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 106995228
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
CID 55688262
2-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813713
N-(2-aminocyclopentyl)-7-bromo-1-benzofuran-2-carboxamide
CID 63251543
7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide
CID 83202941
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192686
7-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
CID 111696730
N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide
CID 49016386
7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 62046555

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide (CID 38911138) is 7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide is CC1CCC(NC(=O)c2cc3cccc(Br)c3o2)CC1.
What is the InChIKey of 7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
The InChIKey is VWJVFNUHZLRQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-10-5-7-12(8-6-10)18-16(19)14-9-11-3-2-4-13(17)15(11)20-14/h2-4,9-10,12H,5-8H2,1H3,(H,18,19).
What are the key properties of 7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38911138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).