1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone

C15H17Cl2NO — CID 82269459

IUPAC1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone
SMILESCC(=O)c1c(Cl)n(CC(C)C)c2c(C)c(Cl)ccc12
InChIInChI=1S/C15H17Cl2NO/c1-8(2)7-18-14-9(3)12(16)6-5-11(14)13(10(4)19)15(18)17/h5-6,8H,7H2,1-4H3
InChIKeyNQKKTEJDMSOJMZ-UHFFFAOYSA-N
MW298.21 g/mol
LogP5.12
Rot. Bonds3

About 1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone

1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone (PubChem CID 82269459) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone
PubChem CID82269459
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone
SMILESCC(=O)c1c(Cl)n(CC(C)C)c2c(C)c(Cl)ccc12
InChIInChI=1S/C15H17Cl2NO/c1-8(2)7-18-14-9(3)12(16)6-5-11(14)13(10(4)19)15(18)17/h5-6,8H,7H2,1-4H3
InChIKeyNQKKTEJDMSOJMZ-UHFFFAOYSA-N
XLogP5.12
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.21
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone
CID 82268944
1-(2,7-dichloro-1-methylindol-3-yl)ethanone
CID 82269332
2-chloro-1-ethyl-6,7-dimethylindole-3-carboxylic acid
CID 82268967
1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
CID 82268678
1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone
CID 82494396
1-(3-chloro-6-fluoro-2-methylphenyl)ethanone
CID 84770201
1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone
CID 82269669
7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82249284
1-[2-chloro-7-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82269421
1-[2-chloro-1-(3-methylbut-3-enyl)indol-3-yl]ethanone
CID 101492532
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
2-chloro-5-fluoro-1-(2-methylpropyl)indole-3-carboxylic acid
CID 82268787

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone?
The IUPAC name of 1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone (CID 82269459) is 1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone is CC(=O)c1c(Cl)n(CC(C)C)c2c(C)c(Cl)ccc12.
What is the InChIKey of 1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone?
The InChIKey is NQKKTEJDMSOJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-8(2)7-18-14-9(3)12(16)6-5-11(14)13(10(4)19)15(18)17/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone?
1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone has a molecular weight of 298.21 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone is sourced from PubChem (CID 82269459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).