3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide

C26H20N2O4 — CID 18861686

IUPAC3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(CC(=O)Nc3c(C(=O)Nc4ccccc4)oc4ccccc34)coc2c1
InChIInChI=1S/C26H20N2O4/c1-16-11-12-19-17(15-31-22(19)13-16)14-23(29)28-24-20-9-5-6-10-21(20)32-25(24)26(30)27-18-7-3-2-4-8-18/h2-13,15H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyYLCCOBBAEZVUDW-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.92
Rot. Bonds5

About 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide

3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 18861686) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID18861686
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(CC(=O)Nc3c(C(=O)Nc4ccccc4)oc4ccccc34)coc2c1
InChIInChI=1S/C26H20N2O4/c1-16-11-12-19-17(15-31-22(19)13-16)14-23(29)28-24-20-9-5-6-10-21(20)32-25(24)26(30)27-18-7-3-2-4-8-18/h2-13,15H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyYLCCOBBAEZVUDW-UHFFFAOYSA-N
XLogP5.92
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861171
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 18861651
3-[[2-(5-tert-butyl-1-benzofuran-3-yl)acetyl]amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 18861335
3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 16814293
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 1267238
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861282

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide (CID 18861686) is 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide is Cc1ccc2c(CC(=O)Nc3c(C(=O)Nc4ccccc4)oc4ccccc34)coc2c1.
What is the InChIKey of 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is YLCCOBBAEZVUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-16-11-12-19-17(15-31-22(19)13-16)14-23(29)28-24-20-9-5-6-10-21(20)32-25(24)26(30)27-18-7-3-2-4-8-18/h2-13,15H,14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18861686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).