2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone

C11H9Cl2NO — CID 53212190

IUPAC2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2cccc(Cl)c2c1C(=O)CCl
InChIInChI=1S/C11H9Cl2NO/c1-6-10(9(15)5-12)11-7(13)3-2-4-8(11)14-6/h2-4,14H,5H2,1H3
InChIKeyRQKHRLAEIUITOQ-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone

2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone (PubChem CID 53212190) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone
PubChem CID53212190
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2cccc(Cl)c2c1C(=O)CCl
InChIInChI=1S/C11H9Cl2NO/c1-6-10(9(15)5-12)11-7(13)3-2-4-8(11)14-6/h2-4,14H,5H2,1H3
InChIKeyRQKHRLAEIUITOQ-UHFFFAOYSA-N
XLogP3.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide
CID 110855128
4-chloro-2-methyl-N-prop-2-enyl-1H-indole-3-carboxamide
CID 110848103
N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide
CID 110861279
1-(3,4-dichloro-1H-indol-2-yl)ethanone
CID 115036474
5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986361
1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone
CID 82382387
6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid
CID 115110657
ethyl 5-chloro-4-(hydroxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 90455879
2-(3,4-dichloro-1H-indol-2-yl)acetic acid
CID 67922081
bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 143294111
5-(4-chloro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986379
2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone
CID 171008689

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone (CID 53212190) is 2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2cccc(Cl)c2c1C(=O)CCl.
What is the InChIKey of 2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is RQKHRLAEIUITOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-6-10(9(15)5-12)11-7(13)3-2-4-8(11)14-6/h2-4,14H,5H2,1H3.
What are the key properties of 2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone?
2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 242.10 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 53212190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).