1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone

C16H20ClNO2 — CID 82268944

IUPAC1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone
SMILESCCOc1ccc2c(c1)c(C(C)=O)c(Cl)n2CC(C)C
InChIInChI=1S/C16H20ClNO2/c1-5-20-12-6-7-14-13(8-12)15(11(4)19)16(17)18(14)9-10(2)3/h6-8,10H,5,9H2,1-4H3
InChIKeyVASULJWXIOONEL-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.55
Rot. Bonds5

About 1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone

1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone (PubChem CID 82268944) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone
PubChem CID82268944
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone
SMILESCCOc1ccc2c(c1)c(C(C)=O)c(Cl)n2CC(C)C
InChIInChI=1S/C16H20ClNO2/c1-5-20-12-6-7-14-13(8-12)15(11(4)19)16(17)18(14)9-10(2)3/h6-8,10H,5,9H2,1-4H3
InChIKeyVASULJWXIOONEL-UHFFFAOYSA-N
XLogP4.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82268904
2-chloro-5-fluoro-1-(2-methylpropyl)indole-3-carboxylic acid
CID 82268787
(E)-3-(2-chloro-5-ethoxy-1-ethylindol-3-yl)prop-2-enoic acid
CID 82268930
5-ethoxy-1-ethyl-2-(trifluoromethyl)indole-3-carboxylic acid
CID 82036474
ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate
CID 1082711
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 68905533
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 67244337
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 67243629
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67244900
1-[5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1-ethyl-2-methylindol-3-yl]ethanone;hydrochloride
CID 73167582
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
2-chloro-5-ethoxy-1-methylindole-3-carbaldehyde
CID 82268916

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone?
The IUPAC name of 1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone (CID 82268944) is 1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone is CCOc1ccc2c(c1)c(C(C)=O)c(Cl)n2CC(C)C.
What is the InChIKey of 1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone?
The InChIKey is VASULJWXIOONEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-5-20-12-6-7-14-13(8-12)15(11(4)19)16(17)18(14)9-10(2)3/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone?
1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone has a molecular weight of 293.79 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-ethoxy-1-(2-methylpropyl)indol-3-yl]ethanone is sourced from PubChem (CID 82268944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).