2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide

C15H15BrN2O3 — CID 166911495

IUPAC2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide
SMILESCC(C)(C)C(=O)n1cc(C(=O)C(N)=O)c2ccc(Br)cc21
InChIInChI=1S/C15H15BrN2O3/c1-15(2,3)14(21)18-7-10(12(19)13(17)20)9-5-4-8(16)6-11(9)18/h4-7H,1-3H3,(H2,17,20)
InChIKeyGWLRDCXVEQIKKC-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.76
Rot. Bonds2

About 2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide

2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide (PubChem CID 166911495) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide
PubChem CID166911495
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide
SMILESCC(C)(C)C(=O)n1cc(C(=O)C(N)=O)c2ccc(Br)cc21
InChIInChI=1S/C15H15BrN2O3/c1-15(2,3)14(21)18-7-10(12(19)13(17)20)9-5-4-8(16)6-11(9)18/h4-7H,1-3H3,(H2,17,20)
InChIKeyGWLRDCXVEQIKKC-UHFFFAOYSA-N
XLogP2.76
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide (CID 166911495) is 2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide is CC(C)(C)C(=O)n1cc(C(=O)C(N)=O)c2ccc(Br)cc21.
What is the InChIKey of 2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is GWLRDCXVEQIKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-15(2,3)14(21)18-7-10(12(19)13(17)20)9-5-4-8(16)6-11(9)18/h4-7H,1-3H3,(H2,17,20).
What are the key properties of 2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide?
2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 351.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-1-(2,2-dimethylpropanoyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 166911495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).