N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

C26H19NO4 — CID 18861651

IUPACN-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)coc2c1
InChIInChI=1S/C26H19NO4/c1-16-11-12-19-18(15-30-22(19)13-16)14-23(28)27-24-20-9-5-6-10-21(20)31-26(24)25(29)17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H,27,28)
InChIKeyAIWKZJAVOPNRNM-UHFFFAOYSA-N
MW409.44 g/mol
LogP5.90
Rot. Bonds5

About N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 18861651) has the molecular formula C26H19NO4 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID18861651
Molecular FormulaC26H19NO4
Molecular Weight409.44 g/mol
Exact Mass409.13
IUPAC NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)coc2c1
InChIInChI=1S/C26H19NO4/c1-16-11-12-19-18(15-30-22(19)13-16)14-23(28)27-24-20-9-5-6-10-21(20)31-26(24)25(29)17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H,27,28)
InChIKeyAIWKZJAVOPNRNM-UHFFFAOYSA-N
XLogP5.90
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.44
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861686
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 18861596
N-(2-benzoyl-1-benzofuran-3-yl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860659
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861282
3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861171
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 18860958
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860663
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861000
N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
3-[[2-(5-tert-butyl-1-benzofuran-3-yl)acetyl]amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 18861335
N-(2-chlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2600753
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 18861651) is N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)coc2c1.
What is the InChIKey of N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is AIWKZJAVOPNRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO4/c1-16-11-12-19-18(15-30-22(19)13-16)14-23(28)27-24-20-9-5-6-10-21(20)31-26(24)25(29)17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H,27,28).
What are the key properties of N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 409.44 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18861651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).