2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone

C18H16BrNO — CID 63567580

IUPAC2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2ccc3cc(Br)ccc32)c(C)c1
InChIInChI=1S/C18H16BrNO/c1-12-3-5-16(13(2)9-12)18(21)11-20-8-7-14-10-15(19)4-6-17(14)20/h3-10H,11H2,1-2H3
InChIKeyDQUMIDXCZGWVAQ-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.90
Rot. Bonds3

About 2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone

2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 63567580) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
PubChem CID63567580
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2ccc3cc(Br)ccc32)c(C)c1
InChIInChI=1S/C18H16BrNO/c1-12-3-5-16(13(2)9-12)18(21)11-20-8-7-14-10-15(19)4-6-17(14)20/h3-10H,11H2,1-2H3
InChIKeyDQUMIDXCZGWVAQ-UHFFFAOYSA-N
XLogP4.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 62024127
N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4048909
5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 116619570
6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7488393
N-[(5-bromoindol-1-yl)methyl]acetamide
CID 173119259
4-[2-(5-methylindol-1-yl)acetyl]benzonitrile
CID 63554605
1-methoxy-3-(5-methylindol-1-yl)propan-2-one
CID 107507773
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62025582
2-(2-bromo-4-nitroimidazol-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 71617866
1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone
CID 63554614

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone (CID 63567580) is 2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)Cn2ccc3cc(Br)ccc32)c(C)c1.
What is the InChIKey of 2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is DQUMIDXCZGWVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-12-3-5-16(13(2)9-12)18(21)11-20-8-7-14-10-15(19)4-6-17(14)20/h3-10H,11H2,1-2H3.
What are the key properties of 2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone?
2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 342.24 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 63567580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).