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

C12H12ClNO — CID 117121607

IUPAC1-(5-chloro-1-ethylindol-2-yl)ethanone
SMILESCCn1c(C(C)=O)cc2cc(Cl)ccc21
InChIInChI=1S/C12H12ClNO/c1-3-14-11-5-4-10(13)6-9(11)7-12(14)8(2)15/h4-7H,3H2,1-2H3
InChIKeyHJWIJLDBHDVCPU-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.52
Rot. Bonds2

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

1-(5-chloro-1-ethylindol-2-yl)ethanone (PubChem CID 117121607) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-(5-chloro-1-ethylindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-1-ethylindol-2-yl)ethanone
PubChem CID117121607
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name1-(5-chloro-1-ethylindol-2-yl)ethanone
SMILESCCn1c(C(C)=O)cc2cc(Cl)ccc21
InChIInChI=1S/C12H12ClNO/c1-3-14-11-5-4-10(13)6-9(11)7-12(14)8(2)15/h4-7H,3H2,1-2H3
InChIKeyHJWIJLDBHDVCPU-UHFFFAOYSA-N
XLogP3.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-1-ethylindol-2-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

1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
CID 145281717
2-(5-chloro-1-ethylindol-2-yl)ethanol
CID 117121550
1-(5-chloro-1-ethylindol-2-yl)propan-2-ol
CID 117121551
methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
CID 115072130
2-(5-chloro-1-ethylindol-2-yl)propan-1-ol
CID 117121568
1,5-diethylindole-2-carboxylic acid;ethane
CID 142207795
2-(5-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117121588
5-chloro-1-ethylbenzimidazole-2-carboxylic acid
CID 130659632
5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide
CID 67416027
ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid
CID 142207725
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
3-acetyl-6-chloro-1-methylquinolin-2-one
CID 118953914

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-ethylindol-2-yl)ethanone?
The IUPAC name of 1-(5-chloro-1-ethylindol-2-yl)ethanone (CID 117121607) is 1-(5-chloro-1-ethylindol-2-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-1-ethylindol-2-yl)ethanone?
The canonical SMILES for 1-(5-chloro-1-ethylindol-2-yl)ethanone is CCn1c(C(C)=O)cc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-1-ethylindol-2-yl)ethanone?
The InChIKey is HJWIJLDBHDVCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-3-14-11-5-4-10(13)6-9(11)7-12(14)8(2)15/h4-7H,3H2,1-2H3.
What are the key properties of 1-(5-chloro-1-ethylindol-2-yl)ethanone?
1-(5-chloro-1-ethylindol-2-yl)ethanone has a molecular weight of 221.69 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-ethylindol-2-yl)ethanone is sourced from PubChem (CID 117121607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).