2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide

C21H17NO3 — CID 18860246

IUPAC2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
SMILESCOc1ccc2occ(CC(=O)Nc3ccc4ccccc4c3)c2c1
InChIInChI=1S/C21H17NO3/c1-24-18-8-9-20-19(12-18)16(13-25-20)11-21(23)22-17-7-6-14-4-2-3-5-15(14)10-17/h2-10,12-13H,11H2,1H3,(H,22,23)
InChIKeyXZNXUXJIKBAAMG-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.78
Rot. Bonds4

About 2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide

2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide (PubChem CID 18860246) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
PubChem CID18860246
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
SMILESCOc1ccc2occ(CC(=O)Nc3ccc4ccccc4c3)c2c1
InChIInChI=1S/C21H17NO3/c1-24-18-8-9-20-19(12-18)16(13-25-20)11-21(23)22-17-7-6-14-4-2-3-5-15(14)10-17/h2-10,12-13H,11H2,1H3,(H,22,23)
InChIKeyXZNXUXJIKBAAMG-UHFFFAOYSA-N
XLogP4.78
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860488
2-(2,5-dimethoxyphenyl)-N-naphthalen-2-ylacetamide
CID 78804408
N-(3-chloro-2-methylphenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860265
N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 167531222
2-(5-methyl-1-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 18872348
3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 17394423
N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 110488794
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2665602
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51330083
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide (CID 18860246) is 2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide is COc1ccc2occ(CC(=O)Nc3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide?
The InChIKey is XZNXUXJIKBAAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-24-18-8-9-20-19(12-18)16(13-25-20)11-21(23)22-17-7-6-14-4-2-3-5-15(14)10-17/h2-10,12-13H,11H2,1H3,(H,22,23).
What are the key properties of 2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide?
2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide has a molecular weight of 331.37 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 18860246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).