2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone

C24H18FNO3 — CID 110828740

IUPAC2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1c(C(=O)CNc2ccccc2C(=O)c2ccccc2)oc2ccc(F)cc12
InChIInChI=1S/C24H18FNO3/c1-15-19-13-17(25)11-12-22(19)29-24(15)21(27)14-26-20-10-6-5-9-18(20)23(28)16-7-3-2-4-8-16/h2-13,26H,14H2,1H3
InChIKeyMZLVIGSSSWQYJA-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.41
Rot. Bonds6

About 2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone

2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 110828740) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
PubChem CID110828740
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1c(C(=O)CNc2ccccc2C(=O)c2ccccc2)oc2ccc(F)cc12
InChIInChI=1S/C24H18FNO3/c1-15-19-13-17(25)11-12-22(19)29-24(15)21(27)14-26-20-10-6-5-9-18(20)23(28)16-7-3-2-4-8-16/h2-13,26H,14H2,1H3
InChIKeyMZLVIGSSSWQYJA-UHFFFAOYSA-N
XLogP5.41
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 110828689
N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55613510
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093299
2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone
CID 110825945
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[2-nitro-4-(trifluoromethyl)anilino]ethanone
CID 110824369
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110828757
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone
CID 110824379
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]ethanone
CID 110828718
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone (CID 110828740) is 2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone is Cc1c(C(=O)CNc2ccccc2C(=O)c2ccccc2)oc2ccc(F)cc12.
What is the InChIKey of 2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is MZLVIGSSSWQYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c1-15-19-13-17(25)11-12-22(19)29-24(15)21(27)14-26-20-10-6-5-9-18(20)23(28)16-7-3-2-4-8-16/h2-13,26H,14H2,1H3.
What are the key properties of 2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone?
2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 387.41 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 110828740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).