3-(pentanoylamino)-1-benzofuran-2-carboxamide

C14H16N2O3 — CID 7385691

IUPAC3-(pentanoylamino)-1-benzofuran-2-carboxamide
SMILESCCCCC(=O)Nc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C14H16N2O3/c1-2-3-8-11(17)16-12-9-6-4-5-7-10(9)19-13(12)14(15)18/h4-7H,2-3,8H2,1H3,(H2,15,18)(H,16,17)
InChIKeyDYEMOHWEPNHYJY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.66
Rot. Bonds5

About 3-(pentanoylamino)-1-benzofuran-2-carboxamide

3-(pentanoylamino)-1-benzofuran-2-carboxamide (PubChem CID 7385691) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(pentanoylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(pentanoylamino)-1-benzofuran-2-carboxamide
PubChem CID7385691
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(pentanoylamino)-1-benzofuran-2-carboxamide
SMILESCCCCC(=O)Nc1c(C(N)=O)oc2ccccc12
InChIInChI=1S/C14H16N2O3/c1-2-3-8-11(17)16-12-9-6-4-5-7-10(9)19-13(12)14(15)18/h4-7H,2-3,8H2,1H3,(H2,15,18)(H,16,17)
InChIKeyDYEMOHWEPNHYJY-UHFFFAOYSA-N
XLogP2.66
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
3-[4-(2-ethoxyphenoxy)butanoylamino]-1-benzofuran-2-carboxamide
CID 17436206
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289356
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
3-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1-benzofuran-2-carboxamide
CID 18585988
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 41362468
2-(pentanoylamino)dibenzofuran-1-carboxamide
CID 141106593
3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 43980597
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16837991

Frequently Asked Questions

What is the IUPAC name of 3-(pentanoylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(pentanoylamino)-1-benzofuran-2-carboxamide (CID 7385691) is 3-(pentanoylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(pentanoylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(pentanoylamino)-1-benzofuran-2-carboxamide is CCCCC(=O)Nc1c(C(N)=O)oc2ccccc12.
What is the InChIKey of 3-(pentanoylamino)-1-benzofuran-2-carboxamide?
The InChIKey is DYEMOHWEPNHYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-3-8-11(17)16-12-9-6-4-5-7-10(9)19-13(12)14(15)18/h4-7H,2-3,8H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 3-(pentanoylamino)-1-benzofuran-2-carboxamide?
3-(pentanoylamino)-1-benzofuran-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentanoylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7385691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).