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

C14H15BrN2O2 — CID 166911872

IUPAC2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
SMILESCC(C)Cn1cc(C(=O)C(N)=O)c2ccc(Br)cc21
InChIInChI=1S/C14H15BrN2O2/c1-8(2)6-17-7-11(13(18)14(16)19)10-4-3-9(15)5-12(10)17/h3-5,7-8H,6H2,1-2H3,(H2,16,19)
InChIKeyVHLJNKOVFLPHOH-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.73
Rot. Bonds4

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

2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide (PubChem CID 166911872) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
PubChem CID166911872
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
SMILESCC(C)Cn1cc(C(=O)C(N)=O)c2ccc(Br)cc21
InChIInChI=1S/C14H15BrN2O2/c1-8(2)6-17-7-11(13(18)14(16)19)10-4-3-9(15)5-12(10)17/h3-5,7-8H,6H2,1-2H3,(H2,16,19)
InChIKeyVHLJNKOVFLPHOH-UHFFFAOYSA-N
XLogP2.73
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylpropyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide (CID 166911872) is 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide is CC(C)Cn1cc(C(=O)C(N)=O)c2ccc(Br)cc21.
What is the InChIKey of 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is VHLJNKOVFLPHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-8(2)6-17-7-11(13(18)14(16)19)10-4-3-9(15)5-12(10)17/h3-5,7-8H,6H2,1-2H3,(H2,16,19).
What are the key properties of 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide?
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 323.19 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 166911872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).