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

C19H25ClN2O2 — CID 46940329

IUPACN-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide
SMILESCC(O)Cn1cc(NC(=O)CC2CCCCC2)c2c(Cl)cccc21
InChIInChI=1S/C19H25ClN2O2/c1-13(23)11-22-12-16(19-15(20)8-5-9-17(19)22)21-18(24)10-14-6-3-2-4-7-14/h5,8-9,12-14,23H,2-4,6-7,10-11H2,1H3,(H,21,24)
InChIKeyOSSYXOZWCDPUDL-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.58
Rot. Bonds5

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

N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide (PubChem CID 46940329) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide
PubChem CID46940329
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide
SMILESCC(O)Cn1cc(NC(=O)CC2CCCCC2)c2c(Cl)cccc21
InChIInChI=1S/C19H25ClN2O2/c1-13(23)11-22-12-16(19-15(20)8-5-9-17(19)22)21-18(24)10-14-6-3-2-4-7-14/h5,8-9,12-14,23H,2-4,6-7,10-11H2,1H3,(H,21,24)
InChIKeyOSSYXOZWCDPUDL-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
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-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide (CID 46940329) is N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide is CC(O)Cn1cc(NC(=O)CC2CCCCC2)c2c(Cl)cccc21.
What is the InChIKey of N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide?
The InChIKey is OSSYXOZWCDPUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-13(23)11-22-12-16(19-15(20)8-5-9-17(19)22)21-18(24)10-14-6-3-2-4-7-14/h5,8-9,12-14,23H,2-4,6-7,10-11H2,1H3,(H,21,24).
What are the key properties of N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide?
N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide has a molecular weight of 348.87 g/mol, XLogP of 4.58, 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-hydroxypropyl)indol-3-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 46940329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).