N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C19H15NO3 — CID 51330083

IUPACN-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESC#Cc1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1
InChIInChI=1S/C19H15NO3/c1-3-13-5-4-6-15(9-13)20-19(21)10-14-12-23-18-11-16(22-2)7-8-17(14)18/h1,4-9,11-12H,10H2,2H3,(H,20,21)
InChIKeySITGVSFBFUCDLU-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.60
Rot. Bonds4

About N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 51330083) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID51330083
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC NameN-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESC#Cc1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1
InChIInChI=1S/C19H15NO3/c1-3-13-5-4-6-15(9-13)20-19(21)10-14-12-23-18-11-16(22-2)7-8-17(14)18/h1,4-9,11-12H,10H2,2H3,(H,20,21)
InChIKeySITGVSFBFUCDLU-UHFFFAOYSA-N
XLogP3.60
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 17394423
2-(6-methoxy-1-benzofuran-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2665602
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18871993
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7925136
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 8011717
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
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4841640
2-(6-methoxy-1-benzofuran-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3971736
2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860246
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119439857

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 51330083) is N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide is C#Cc1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is SITGVSFBFUCDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-3-13-5-4-6-15(9-13)20-19(21)10-14-12-23-18-11-16(22-2)7-8-17(14)18/h1,4-9,11-12H,10H2,2H3,(H,20,21).
What are the key properties of N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 305.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 51330083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).