3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide

C18H16N2O4 — CID 17394423

IUPAC3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
SMILESCOc1ccc2c(CC(=O)Nc3cccc(C(N)=O)c3)coc2c1
InChIInChI=1S/C18H16N2O4/c1-23-14-5-6-15-12(10-24-16(15)9-14)8-17(21)20-13-4-2-3-11(7-13)18(19)22/h2-7,9-10H,8H2,1H3,(H2,19,22)(H,20,21)
InChIKeyWINXSRJRBQUNAV-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.72
Rot. Bonds5

About 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide

3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide (PubChem CID 17394423) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
PubChem CID17394423
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
SMILESCOc1ccc2c(CC(=O)Nc3cccc(C(N)=O)c3)coc2c1
InChIInChI=1S/C18H16N2O4/c1-23-14-5-6-15-12(10-24-16(15)9-14)8-17(21)20-13-4-2-3-11(7-13)18(19)22/h2-7,9-10H,8H2,1H3,(H2,19,22)(H,20,21)
InChIKeyWINXSRJRBQUNAV-UHFFFAOYSA-N
XLogP2.72
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2665602
N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51330083
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
CID 2676406
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4841640
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2672835
4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803550
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide (CID 17394423) is 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide is COc1ccc2c(CC(=O)Nc3cccc(C(N)=O)c3)coc2c1.
What is the InChIKey of 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide?
The InChIKey is WINXSRJRBQUNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-14-5-6-15-12(10-24-16(15)9-14)8-17(21)20-13-4-2-3-11(7-13)18(19)22/h2-7,9-10H,8H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide?
3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide has a molecular weight of 324.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 17394423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).