2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one

C24H24BrNO — CID 5065017

IUPAC2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
SMILESCC1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(C(C)C)cc3)c2C1
InChIInChI=1S/C24H24BrNO/c1-15(2)17-6-10-20(11-7-17)26-22(18-4-8-19(25)9-5-18)14-21-23(26)12-16(3)13-24(21)27/h4-11,14-16H,12-13H2,1-3H3
InChIKeyJDEWKRCUALVKHA-UHFFFAOYSA-N
MW422.37 g/mol
LogP6.80
Rot. Bonds3

About 2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one

2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 5065017) has the molecular formula C24H24BrNO and a molecular weight of 422.37 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
PubChem CID5065017
Molecular FormulaC24H24BrNO
Molecular Weight422.37 g/mol
Exact Mass421.10
IUPAC Name2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
SMILESCC1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(C(C)C)cc3)c2C1
InChIInChI=1S/C24H24BrNO/c1-15(2)17-6-10-20(11-7-17)26-22(18-4-8-19(25)9-5-18)14-21-23(26)12-16(3)13-24(21)27/h4-11,14-16H,12-13H2,1-3H3
InChIKeyJDEWKRCUALVKHA-UHFFFAOYSA-N
XLogP6.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.37
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397610
2-(2-bromophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397336
2-Methyl-1-p-tolyl-1,5,6,7-tetrahydro-indol-4-one
CID 2998089
1-(2-Fluorophenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one
CID 16008659
4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
CID 849706
1,2-diphenyl-1,5,6,7-tetrahydro-4H-indol-4-one
CID 3511336
3-Bromo-4-(4-oxo-1,2,3,4-tetrahydro-carbazol-9-yl)benzamide
CID 16065675
(4-Bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 71457790
1-(3,4-dimethylphenyl)-2,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
CID 977573
3-[1-(4-acetylphenyl)-5-(4-bromophenyl)-1H-pyrrol-2-yl]propanoic acid
CID 2943019
4-(2,2-Dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)benzamide
CID 44449273
2-Methyl-1-pentyl-3-(4-bromo-1-naphthoyl)indole
CID 71463152

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one (CID 5065017) is 2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one is CC1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(C(C)C)cc3)c2C1.
What is the InChIKey of 2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is JDEWKRCUALVKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO/c1-15(2)17-6-10-20(11-7-17)26-22(18-4-8-19(25)9-5-18)14-21-23(26)12-16(3)13-24(21)27/h4-11,14-16H,12-13H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 422.37 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 5065017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).