[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate

C17H18ClNO3 — CID 70284823

IUPAC[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate
SMILESCC(=O)Oc1c(C(=O)C2CCCCC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H18ClNO3/c1-10(20)22-17-13-8-7-12(18)9-14(13)19-15(17)16(21)11-5-3-2-4-6-11/h7-9,11,19H,2-6H2,1H3
InChIKeyJOEVVTAYSCWOPI-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.51
Rot. Bonds3

About [6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate

[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate (PubChem CID 70284823) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is [6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate.

Molecular Properties

Compound Name[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate
PubChem CID70284823
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate
SMILESCC(=O)Oc1c(C(=O)C2CCCCC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H18ClNO3/c1-10(20)22-17-13-8-7-12(18)9-14(13)19-15(17)16(21)11-5-3-2-4-6-11/h7-9,11,19H,2-6H2,1H3
InChIKeyJOEVVTAYSCWOPI-UHFFFAOYSA-N
XLogP4.51
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate?
The IUPAC name of [6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate (CID 70284823) is [6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate.
What is the SMILES notation for [6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate?
The canonical SMILES for [6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate is CC(=O)Oc1c(C(=O)C2CCCCC2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of [6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate?
The InChIKey is JOEVVTAYSCWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-10(20)22-17-13-8-7-12(18)9-14(13)19-15(17)16(21)11-5-3-2-4-6-11/h7-9,11,19H,2-6H2,1H3.
What are the key properties of [6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate?
[6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate has a molecular weight of 319.79 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(cyclohexanecarbonyl)-1H-indol-3-yl] acetate is sourced from PubChem (CID 70284823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).