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

C14H16BrNO — CID 169304816

IUPAC1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CC(C)C)c2cc(Br)ccc12
InChIInChI=1S/C14H16BrNO/c1-9(2)7-16-8-13(10(3)17)12-5-4-11(15)6-14(12)16/h4-6,8-9H,7H2,1-3H3
InChIKeyYLTMHNSGOGEENB-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.26
Rot. Bonds3

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

1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone (PubChem CID 169304816) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone
PubChem CID169304816
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CC(C)C)c2cc(Br)ccc12
InChIInChI=1S/C14H16BrNO/c1-9(2)7-16-8-13(10(3)17)12-5-4-11(15)6-14(12)16/h4-6,8-9H,7H2,1-3H3
InChIKeyYLTMHNSGOGEENB-UHFFFAOYSA-N
XLogP4.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-oxoacetamide
CID 166911872
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]-2-propan-2-ylsulfanylethanone
CID 169304742
2-[6-bromo-1-(2-methylpropyl)indol-3-yl]acetamide
CID 166911742
6-bromo-3-ethenyl-1-(2-methylpropyl)indole
CID 169304513
1-[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]ethanone
CID 10594136
2-(3-acetyl-5-bromoindol-1-yl)acetic acid
CID 83948120
1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
CID 83948117
1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 162765499
1-[5-bromo-1-(2-methylprop-2-enyl)indol-3-yl]ethanone
CID 117098702
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
6-bromo-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid
CID 172674755

Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone?
The IUPAC name of 1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone (CID 169304816) is 1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone is CC(=O)c1cn(CC(C)C)c2cc(Br)ccc12.
What is the InChIKey of 1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone?
The InChIKey is YLTMHNSGOGEENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-9(2)7-16-8-13(10(3)17)12-5-4-11(15)6-14(12)16/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone?
1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone has a molecular weight of 294.19 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-1-(2-methylpropyl)indol-3-yl]ethanone is sourced from PubChem (CID 169304816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).