N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

C27H21NO4 — CID 18861596

IUPACN-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)coc2c1C
InChIInChI=1S/C27H21NO4/c1-16-12-13-20-19(15-31-26(20)17(16)2)14-23(29)28-24-21-10-6-7-11-22(21)32-27(24)25(30)18-8-4-3-5-9-18/h3-13,15H,14H2,1-2H3,(H,28,29)
InChIKeyMVFXVQYOQPKADU-UHFFFAOYSA-N
MW423.47 g/mol
LogP6.21
Rot. Bonds5

About N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 18861596) has the molecular formula C27H21NO4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID18861596
Molecular FormulaC27H21NO4
Molecular Weight423.47 g/mol
Exact Mass423.15
IUPAC NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)coc2c1C
InChIInChI=1S/C27H21NO4/c1-16-12-13-20-19(15-31-26(20)17(16)2)14-23(29)28-24-21-10-6-7-11-22(21)32-27(24)25(30)18-8-4-3-5-9-18/h3-13,15H,14H2,1-2H3,(H,28,29)
InChIKeyMVFXVQYOQPKADU-UHFFFAOYSA-N
XLogP6.21
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 18861651
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
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861000
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
N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660
3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861686
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (CID 18861596) is N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)coc2c1C.
What is the InChIKey of N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is MVFXVQYOQPKADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO4/c1-16-12-13-20-19(15-31-26(20)17(16)2)14-23(29)28-24-21-10-6-7-11-22(21)32-27(24)25(30)18-8-4-3-5-9-18/h3-13,15H,14H2,1-2H3,(H,28,29).
What are the key properties of N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 423.47 g/mol, XLogP of 6.21, 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-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18861596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).