3-butyl-2-benzofuran-1-carboxamide

C13H15NO2 — CID 150146544

IUPAC3-butyl-2-benzofuran-1-carboxamide
SMILESCCCCc1oc(C(N)=O)c2ccccc12
InChIInChI=1S/C13H15NO2/c1-2-3-8-11-9-6-4-5-7-10(9)12(16-11)13(14)15/h4-7H,2-3,8H2,1H3,(H2,14,15)
InChIKeyFEJIXRBWRMNMFN-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.87
Rot. Bonds4

About 3-butyl-2-benzofuran-1-carboxamide

3-butyl-2-benzofuran-1-carboxamide (PubChem CID 150146544) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-butyl-2-benzofuran-1-carboxamide.

Molecular Properties

Compound Name3-butyl-2-benzofuran-1-carboxamide
PubChem CID150146544
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-butyl-2-benzofuran-1-carboxamide
SMILESCCCCc1oc(C(N)=O)c2ccccc12
InChIInChI=1S/C13H15NO2/c1-2-3-8-11-9-6-4-5-7-10(9)12(16-11)13(14)15/h4-7H,2-3,8H2,1H3,(H2,14,15)
InChIKeyFEJIXRBWRMNMFN-UHFFFAOYSA-N
XLogP2.87
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylbenzamide
CID 15468173
4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 60594549
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
2-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 141114520
2-pentylnaphthalene-1-carboxamide
CID 154106171
5-bromo-3-butylfuran-2-carboxamide
CID 170987109
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
2-butyl-3-methylchromen-4-one
CID 174299593
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
2-octylbenzamide
CID 11148995
3-ethyl-4-oxochromene-2-carboxamide
CID 151195222

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-benzofuran-1-carboxamide?
The IUPAC name of 3-butyl-2-benzofuran-1-carboxamide (CID 150146544) is 3-butyl-2-benzofuran-1-carboxamide.
What is the SMILES notation for 3-butyl-2-benzofuran-1-carboxamide?
The canonical SMILES for 3-butyl-2-benzofuran-1-carboxamide is CCCCc1oc(C(N)=O)c2ccccc12.
What is the InChIKey of 3-butyl-2-benzofuran-1-carboxamide?
The InChIKey is FEJIXRBWRMNMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-8-11-9-6-4-5-7-10(9)12(16-11)13(14)15/h4-7H,2-3,8H2,1H3,(H2,14,15).
What are the key properties of 3-butyl-2-benzofuran-1-carboxamide?
3-butyl-2-benzofuran-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-benzofuran-1-carboxamide is sourced from PubChem (CID 150146544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).