2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone

C25H21NO3 — CID 110825903

IUPAC2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1
InChIInChI=1S/C25H21NO3/c1-16-7-11-18(12-8-16)21(27)15-26-23-20-5-3-4-6-22(20)29-25(23)24(28)19-13-9-17(2)10-14-19/h3-14,26H,15H2,1-2H3
InChIKeyQRGBZHAESLNTKP-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.58
Rot. Bonds6

About 2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone

2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone (PubChem CID 110825903) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone
PubChem CID110825903
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1
InChIInChI=1S/C25H21NO3/c1-16-7-11-18(12-8-16)21(27)15-26-23-20-5-3-4-6-22(20)29-25(23)24(28)19-13-9-17(2)10-14-19/h3-14,26H,15H2,1-2H3
InChIKeyQRGBZHAESLNTKP-UHFFFAOYSA-N
XLogP5.58
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828005
2-[(2-benzoyl-1-benzofuran-3-yl)amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830459
2-[[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]amino]-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 110828689
2-[[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825664
2-[[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825684
[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-(4-methylphenyl)methanone
CID 110827194
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-3-carboxamide
CID 52904616
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 4065338
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092512
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone (CID 110825903) is 2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CNc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1.
What is the InChIKey of 2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone?
The InChIKey is QRGBZHAESLNTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-16-7-11-18(12-8-16)21(27)15-26-23-20-5-3-4-6-22(20)29-25(23)24(28)19-13-9-17(2)10-14-19/h3-14,26H,15H2,1-2H3.
What are the key properties of 2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone?
2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone has a molecular weight of 383.45 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 110825903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).