N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide

C18H23ClN2O2 — CID 46940073

IUPACN-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cn(CCO)c2cccc(Cl)c12
InChIInChI=1S/C18H23ClN2O2/c19-14-7-4-8-16-18(14)15(12-21(16)9-10-22)20-17(23)11-13-5-2-1-3-6-13/h4,7-8,12-13,22H,1-3,5-6,9-11H2,(H,20,23)
InChIKeyKZCSGGNZYJERJX-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.20
Rot. Bonds5

About N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide

N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide (PubChem CID 46940073) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide
PubChem CID46940073
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cn(CCO)c2cccc(Cl)c12
InChIInChI=1S/C18H23ClN2O2/c19-14-7-4-8-16-18(14)15(12-21(16)9-10-22)20-17(23)11-13-5-2-1-3-6-13/h4,7-8,12-13,22H,1-3,5-6,9-11H2,(H,20,23)
InChIKeyKZCSGGNZYJERJX-UHFFFAOYSA-N
XLogP4.20
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide (CID 46940073) is N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1cn(CCO)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide?
The InChIKey is KZCSGGNZYJERJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c19-14-7-4-8-16-18(14)15(12-21(16)9-10-22)20-17(23)11-13-5-2-1-3-6-13/h4,7-8,12-13,22H,1-3,5-6,9-11H2,(H,20,23).
What are the key properties of N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide?
N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide has a molecular weight of 334.85 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 46940073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).