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

C14H17BrN2O — CID 166911742

IUPAC2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide
SMILESCC(C)Cn1cc(CC(N)=O)c2ccc(Br)cc21
InChIInChI=1S/C14H17BrN2O/c1-9(2)7-17-8-10(5-14(16)18)12-4-3-11(15)6-13(12)17/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,18)
InChIKeyXQCFOIWWTHZPOJ-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.09
Rot. Bonds4

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

2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide (PubChem CID 166911742) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide
PubChem CID166911742
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide
SMILESCC(C)Cn1cc(CC(N)=O)c2ccc(Br)cc21
InChIInChI=1S/C14H17BrN2O/c1-9(2)7-17-8-10(5-14(16)18)12-4-3-11(15)6-13(12)17/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,18)
InChIKeyXQCFOIWWTHZPOJ-UHFFFAOYSA-N
XLogP3.09
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
CID 166911872
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone
CID 169304816
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-propan-2-ylsulfanylethanone
CID 169304742
6-bromo-3-ethenyl-1-(2-methylpropyl)indole
CID 169304513
trans-(1R,2S)-2-[6-bromo-1-(2-methylpropyl)indol-3-yl]cyclopropan-1-amine
CID 166910886
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-methylpropanenitrile
CID 169304659
2-(6-bromo-3-ethylindol-1-yl)ethanol
CID 83946660
2-[6-bromo-1-(3-hydroxypropyl)indol-3-yl]acetic acid
CID 83946695
CID 169304570
CID 169304570
2-[5-bromo-1-(2-methylpropyl)indol-3-yl]acetonitrile
CID 175317145
3-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122264
2-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122253

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide?
The IUPAC name of 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide (CID 166911742) is 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide.
What is the SMILES notation for 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide?
The canonical SMILES for 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide is CC(C)Cn1cc(CC(N)=O)c2ccc(Br)cc21.
What is the InChIKey of 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide?
The InChIKey is XQCFOIWWTHZPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-9(2)7-17-8-10(5-14(16)18)12-4-3-11(15)6-13(12)17/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,18).
What are the key properties of 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide?
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide has a molecular weight of 309.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide is sourced from PubChem (CID 166911742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).