2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide

C24H18BrNO3 — CID 26773546

IUPAC2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide
SMILESCc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4Br)cc3c2C)cc1
InChIInChI=1S/C24H18BrNO3/c1-14-7-9-16(10-8-14)22(27)23-15(2)19-13-17(11-12-21(19)29-23)26-24(28)18-5-3-4-6-20(18)25/h3-13H,1-2H3,(H,26,28)
InChIKeyMADXLHWORCGRMH-UHFFFAOYSA-N
MW448.32 g/mol
LogP6.30
Rot. Bonds4

About 2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide

2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide (PubChem CID 26773546) has the molecular formula C24H18BrNO3 and a molecular weight of 448.32 g/mol. Its IUPAC name is 2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide
PubChem CID26773546
Molecular FormulaC24H18BrNO3
Molecular Weight448.32 g/mol
Exact Mass447.05
IUPAC Name2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide
SMILESCc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4Br)cc3c2C)cc1
InChIInChI=1S/C24H18BrNO3/c1-14-7-9-16(10-8-14)22(27)23-15(2)19-13-17(11-12-21(19)29-23)26-24(28)18-5-3-4-6-20(18)25/h3-13H,1-2H3,(H,26,28)
InChIKeyMADXLHWORCGRMH-UHFFFAOYSA-N
XLogP6.30
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
CID 26773563
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]cyclohexanecarboxamide
CID 20931096
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]acetamide
CID 19959494
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 7464080
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568849
N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide
CID 42571259
2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18847905
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
2,2-dimethyl-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]propanamide
CID 20931043

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide?
The IUPAC name of 2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide (CID 26773546) is 2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide?
The canonical SMILES for 2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide is Cc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4Br)cc3c2C)cc1.
What is the InChIKey of 2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide?
The InChIKey is MADXLHWORCGRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO3/c1-14-7-9-16(10-8-14)22(27)23-15(2)19-13-17(11-12-21(19)29-23)26-24(28)18-5-3-4-6-20(18)25/h3-13H,1-2H3,(H,26,28).
What are the key properties of 2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide?
2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide has a molecular weight of 448.32 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide is sourced from PubChem (CID 26773546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).