5-butan-2-yl-1-benzofuran-2-carboxamide

C13H15NO2 — CID 155041385

IUPAC5-butan-2-yl-1-benzofuran-2-carboxamide
SMILESCCC(C)c1ccc2oc(C(N)=O)cc2c1
InChIInChI=1S/C13H15NO2/c1-3-8(2)9-4-5-11-10(6-9)7-12(16-11)13(14)15/h4-8H,3H2,1-2H3,(H2,14,15)
InChIKeyIKQZXIYWNHPIGH-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.05
Rot. Bonds3

About 5-butan-2-yl-1-benzofuran-2-carboxamide

5-butan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 155041385) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-butan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-butan-2-yl-1-benzofuran-2-carboxamide
PubChem CID155041385
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-butan-2-yl-1-benzofuran-2-carboxamide
SMILESCCC(C)c1ccc2oc(C(N)=O)cc2c1
InChIInChI=1S/C13H15NO2/c1-3-8(2)9-4-5-11-10(6-9)7-12(16-11)13(14)15/h4-8H,3H2,1-2H3,(H2,14,15)
InChIKeyIKQZXIYWNHPIGH-UHFFFAOYSA-N
XLogP3.05
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-butan-2-yl-1-benzofuran-2-yl)methanamine
CID 107668317
1-(5-butan-2-yl-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 107669269
5-butan-2-yl-2-chlorobenzamide
CID 129129656
5-sulfamoyl-1-benzofuran-2-carboxamide
CID 39733422
azetidin-1-yl-(5-propan-2-yl-1-benzofuran-2-yl)methanone
CID 176932569
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
2-amino-3-(4-butan-2-ylphenyl)propanamide
CID 116850831
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
3-methyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808089
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone
CID 107667352
2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one
CID 114736238
5-(3-amino-1,2-dihydroxy-3-oxopropyl)-1-benzofuran-2-carboxylic acid
CID 171868975

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-butan-2-yl-1-benzofuran-2-carboxamide (CID 155041385) is 5-butan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-butan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-butan-2-yl-1-benzofuran-2-carboxamide is CCC(C)c1ccc2oc(C(N)=O)cc2c1.
What is the InChIKey of 5-butan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is IKQZXIYWNHPIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-8(2)9-4-5-11-10(6-9)7-12(16-11)13(14)15/h4-8H,3H2,1-2H3,(H2,14,15).
What are the key properties of 5-butan-2-yl-1-benzofuran-2-carboxamide?
5-butan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155041385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).