2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide

C15H17BrN2O2 — CID 169304777

IUPAC2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
SMILESCc1cc(Br)cc2c1c(C(=O)C(N)=O)cn2CC(C)C
InChIInChI=1S/C15H17BrN2O2/c1-8(2)6-18-7-11(14(19)15(17)20)13-9(3)4-10(16)5-12(13)18/h4-5,7-8H,6H2,1-3H3,(H2,17,20)
InChIKeyZSJOZIJOXIRIHN-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.04
Rot. Bonds4

About 2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide

2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide (PubChem CID 169304777) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
PubChem CID169304777
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
SMILESCc1cc(Br)cc2c1c(C(=O)C(N)=O)cn2CC(C)C
InChIInChI=1S/C15H17BrN2O2/c1-8(2)6-18-7-11(14(19)15(17)20)13-9(3)4-10(16)5-12(13)18/h4-5,7-8H,6H2,1-3H3,(H2,17,20)
InChIKeyZSJOZIJOXIRIHN-UHFFFAOYSA-N
XLogP3.04
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.04
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-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide (CID 169304777) is 2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide is Cc1cc(Br)cc2c1c(C(=O)C(N)=O)cn2CC(C)C.
What is the InChIKey of 2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is ZSJOZIJOXIRIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-8(2)6-18-7-11(14(19)15(17)20)13-9(3)4-10(16)5-12(13)18/h4-5,7-8H,6H2,1-3H3,(H2,17,20).
What are the key properties of 2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide?
2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 337.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-4-methyl-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 169304777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).