2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide

C25H20BrNO5 — CID 26773563

IUPAC2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
SMILESCOc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4Br)cc3c2C)c1
InChIInChI=1S/C25H20BrNO5/c1-14-18-12-15(27-25(29)17-6-4-5-7-20(17)26)8-10-22(18)32-24(14)23(28)19-13-16(30-2)9-11-21(19)31-3/h4-13H,1-3H3,(H,27,29)
InChIKeyIFVWWMWVZASDJC-UHFFFAOYSA-N
MW494.34 g/mol
LogP6.00
Rot. Bonds6

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

2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide (PubChem CID 26773563) has the molecular formula C25H20BrNO5 and a molecular weight of 494.34 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
PubChem CID26773563
Molecular FormulaC25H20BrNO5
Molecular Weight494.34 g/mol
Exact Mass493.05
IUPAC Name2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
SMILESCOc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4Br)cc3c2C)c1
InChIInChI=1S/C25H20BrNO5/c1-14-18-12-15(27-25(29)17-6-4-5-7-20(17)26)8-10-22(18)32-24(14)23(28)19-13-16(30-2)9-11-21(19)31-3/h4-13H,1-3H3,(H,27,29)
InChIKeyIFVWWMWVZASDJC-UHFFFAOYSA-N
XLogP6.00
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.34
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]benzamide
CID 26773546
N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
CID 26773447
2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568849
N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane
CID 144546170
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 622395
N-[2-(3,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]pyridine-2-carboxamide
CID 42571259
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
4-tert-butyl-N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
CID 26773536
5-bromo-N-(4-methoxy-3-sulfamoylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 26921628
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide?
The IUPAC name of 2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide (CID 26773563) is 2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide is COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4Br)cc3c2C)c1.
What is the InChIKey of 2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide?
The InChIKey is IFVWWMWVZASDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrNO5/c1-14-18-12-15(27-25(29)17-6-4-5-7-20(17)26)8-10-22(18)32-24(14)23(28)19-13-16(30-2)9-11-21(19)31-3/h4-13H,1-3H3,(H,27,29).
What are the key properties of 2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide?
2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide has a molecular weight of 494.34 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide is sourced from PubChem (CID 26773563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).