2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide

C24H19BrN2O4 — CID 118727783

IUPAC2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide
SMILESCOc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C24H19BrN2O4/c1-30-18-12-19(31-2)21(23(28)24(29)27-16-6-4-3-5-7-16)22-20(18)17(13-26-22)14-8-10-15(25)11-9-14/h3-13,26H,1-2H3,(H,27,29)
InChIKeyWUJIGQGGPXXFQH-UHFFFAOYSA-N
MW479.33 g/mol
LogP5.44
Rot. Bonds6

About 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide

2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide (PubChem CID 118727783) has the molecular formula C24H19BrN2O4 and a molecular weight of 479.33 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide
PubChem CID118727783
Molecular FormulaC24H19BrN2O4
Molecular Weight479.33 g/mol
Exact Mass478.05
IUPAC Name2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide
SMILESCOc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C24H19BrN2O4/c1-30-18-12-19(31-2)21(23(28)24(29)27-16-6-4-3-5-7-16)22-20(18)17(13-26-22)14-8-10-15(25)11-9-14/h3-13,26H,1-2H3,(H,27,29)
InChIKeyWUJIGQGGPXXFQH-UHFFFAOYSA-N
XLogP5.44
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.33
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)ethanone
CID 11822552
N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide
CID 127027353
(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol
CID 86172085
N-(4-bromophenyl)-2-oxo-2-phenylacetamide
CID 15620422
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
1-[2-(4-bromophenyl)-6-methoxyphenyl]ethanone
CID 132510284
N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide
CID 22515509
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide
CID 717412
N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112
methyl 6-(4-bromophenyl)-3-methyl-5-[2-(4-methylanilino)-2-oxoacetyl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 132571324
N'-hydroxy-N-phenyloxamide
CID 5008441

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide (CID 118727783) is 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide is COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide?
The InChIKey is WUJIGQGGPXXFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O4/c1-30-18-12-19(31-2)21(23(28)24(29)27-16-6-4-3-5-7-16)22-20(18)17(13-26-22)14-8-10-15(25)11-9-14/h3-13,26H,1-2H3,(H,27,29).
What are the key properties of 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide?
2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide has a molecular weight of 479.33 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide is sourced from PubChem (CID 118727783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).