2-chloro-1-(5-methylindol-1-yl)ethanone

C11H10ClNO — CID 134909164

IUPAC2-chloro-1-(5-methylindol-1-yl)ethanone
SMILESCc1ccc2c(ccn2C(=O)CCl)c1
InChIInChI=1S/C11H10ClNO/c1-8-2-3-10-9(6-8)4-5-13(10)11(14)7-12/h2-6H,7H2,1H3
InChIKeyCNGQAYDKFKOTOD-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.83
Rot. Bonds1

About 2-chloro-1-(5-methylindol-1-yl)ethanone

2-chloro-1-(5-methylindol-1-yl)ethanone (PubChem CID 134909164) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-1-(5-methylindol-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-methylindol-1-yl)ethanone
PubChem CID134909164
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-chloro-1-(5-methylindol-1-yl)ethanone
SMILESCc1ccc2c(ccn2C(=O)CCl)c1
InChIInChI=1S/C11H10ClNO/c1-8-2-3-10-9(6-8)4-5-13(10)11(14)7-12/h2-6H,7H2,1H3
InChIKeyCNGQAYDKFKOTOD-UHFFFAOYSA-N
XLogP2.83
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(5-methylindol-1-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-chloro-1-(5,6-dimethoxyindol-1-yl)ethanone
CID 14634670
1-(5-methylindol-1-yl)prop-2-en-1-one
CID 134938352
(E)-1-(5-methylindol-1-yl)-3-phenylprop-2-en-1-one
CID 56677168
(2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone
CID 129259210
N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552820
[[1-(2-chloroacetyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
CID 87469905
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
(1-propanoylindol-6-yl) 2-chloroacetate
CID 86002827
N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028
1-methoxy-3-(5-methylindol-1-yl)propan-2-one
CID 107507773
5-methyl-1-oxidoindole
CID 175184350
2-(5-methylindol-1-yl)acetaldehyde
CID 63554780

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-methylindol-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(5-methylindol-1-yl)ethanone (CID 134909164) is 2-chloro-1-(5-methylindol-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-methylindol-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(5-methylindol-1-yl)ethanone is Cc1ccc2c(ccn2C(=O)CCl)c1.
What is the InChIKey of 2-chloro-1-(5-methylindol-1-yl)ethanone?
The InChIKey is CNGQAYDKFKOTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-8-2-3-10-9(6-8)4-5-13(10)11(14)7-12/h2-6H,7H2,1H3.
What are the key properties of 2-chloro-1-(5-methylindol-1-yl)ethanone?
2-chloro-1-(5-methylindol-1-yl)ethanone has a molecular weight of 207.66 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-methylindol-1-yl)ethanone is sourced from PubChem (CID 134909164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).