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

C19H25ClN2O2 — CID 46927037

IUPACN-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)Nc1cn(CCO)c2cccc(Cl)c12
InChIInChI=1S/C19H25ClN2O2/c20-15-8-5-9-17-19(15)16(13-22(17)10-11-23)21-18(24)12-14-6-3-1-2-4-7-14/h5,8-9,13-14,23H,1-4,6-7,10-12H2,(H,21,24)
InChIKeyNDWPJXLFSZNCQI-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.59
Rot. Bonds5

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

N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide (PubChem CID 46927037) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide
PubChem CID46927037
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)Nc1cn(CCO)c2cccc(Cl)c12
InChIInChI=1S/C19H25ClN2O2/c20-15-8-5-9-17-19(15)16(13-22(17)10-11-23)21-18(24)12-14-6-3-1-2-4-7-14/h5,8-9,13-14,23H,1-4,6-7,10-12H2,(H,21,24)
InChIKeyNDWPJXLFSZNCQI-UHFFFAOYSA-N
XLogP4.59
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.59
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-cycloheptylacetamide?
The IUPAC name of N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide (CID 46927037) is N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide.
What is the SMILES notation for N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide?
The canonical SMILES for N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide is O=C(CC1CCCCCC1)Nc1cn(CCO)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide?
The InChIKey is NDWPJXLFSZNCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-15-8-5-9-17-19(15)16(13-22(17)10-11-23)21-18(24)12-14-6-3-1-2-4-7-14/h5,8-9,13-14,23H,1-4,6-7,10-12H2,(H,21,24).
What are the key properties of N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide?
N-[4-chloro-1-(2-hydroxyethyl)indol-3-yl]-2-cycloheptylacetamide has a molecular weight of 348.87 g/mol, XLogP of 4.59, 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-cycloheptylacetamide is sourced from PubChem (CID 46927037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).