2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one

C11H9Br2NO — CID 115351483

IUPAC2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
SMILESCC(Br)C(=O)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C11H9Br2NO/c1-6(12)11(15)7-5-14-9-4-2-3-8(13)10(7)9/h2-6,14H,1H3
InChIKeyHTHIVEIWQLKHCO-UHFFFAOYSA-N
MW331.01 g/mol
LogP3.90
Rot. Bonds2

About 2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one

2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one (PubChem CID 115351483) has the molecular formula C11H9Br2NO and a molecular weight of 331.01 g/mol. Its IUPAC name is 2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
PubChem CID115351483
Molecular FormulaC11H9Br2NO
Molecular Weight331.01 g/mol
Exact Mass328.91
IUPAC Name2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
SMILESCC(Br)C(=O)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C11H9Br2NO/c1-6(12)11(15)7-5-14-9-4-2-3-8(13)10(7)9/h2-6,14H,1H3
InChIKeyHTHIVEIWQLKHCO-UHFFFAOYSA-N
XLogP3.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.01
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
(4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115351549
2-(4-bromo-1H-indole-3-carbonyl)benzoic acid
CID 115351658
(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
CID 115351639
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115352092
3-bromo-4-oxo-4-(4-propan-2-yloxy-1H-indol-3-yl)butanoic acid
CID 83164421
(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 113292183
(3E)-4-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028255
1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone
CID 115351551
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115549855
2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
CID 83163402

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one?
The IUPAC name of 2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one (CID 115351483) is 2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one is CC(Br)C(=O)c1c[nH]c2cccc(Br)c12.
What is the InChIKey of 2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one?
The InChIKey is HTHIVEIWQLKHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO/c1-6(12)11(15)7-5-14-9-4-2-3-8(13)10(7)9/h2-6,14H,1H3.
What are the key properties of 2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one?
2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one has a molecular weight of 331.01 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 115351483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).