2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone

C26H17F2NO4 — CID 110828689

IUPAC2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1c(C(=O)CNc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)oc2ccc(F)cc12
InChIInChI=1S/C26H17F2NO4/c1-14-19-12-17(28)10-11-22(19)32-25(14)20(30)13-29-23-18-4-2-3-5-21(18)33-26(23)24(31)15-6-8-16(27)9-7-15/h2-12,29H,13H2,1H3
InChIKeyBPUVHRGUFDBTMM-UHFFFAOYSA-N
MW445.42 g/mol
LogP6.29
Rot. Bonds6

About 2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone

2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 110828689) has the molecular formula C26H17F2NO4 and a molecular weight of 445.42 g/mol. Its IUPAC name is 2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
PubChem CID110828689
Molecular FormulaC26H17F2NO4
Molecular Weight445.42 g/mol
Exact Mass445.11
IUPAC Name2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1c(C(=O)CNc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)oc2ccc(F)cc12
InChIInChI=1S/C26H17F2NO4/c1-14-19-12-17(28)10-11-22(19)32-25(14)20(30)13-29-23-18-4-2-3-5-21(18)33-26(23)24(31)15-6-8-16(27)9-7-15/h2-12,29H,13H2,1H3
InChIKeyBPUVHRGUFDBTMM-UHFFFAOYSA-N
XLogP6.29
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.42
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone with MolForge

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Related Compounds

2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 110828740
2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone
CID 110825903
2-[(2-benzoyl-1-benzofuran-3-yl)amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830459
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
2-[[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825664
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide
CID 4072165
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093299
N-(2-benzoyl-1-benzofuran-3-yl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860659
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone
CID 110824379

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone (CID 110828689) is 2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone is Cc1c(C(=O)CNc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)oc2ccc(F)cc12.
What is the InChIKey of 2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is BPUVHRGUFDBTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2NO4/c1-14-19-12-17(28)10-11-22(19)32-25(14)20(30)13-29-23-18-4-2-3-5-21(18)33-26(23)24(31)15-6-8-16(27)9-7-15/h2-12,29H,13H2,1H3.
What are the key properties of 2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 445.42 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 110828689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).