2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide

C20H27BrN2O2 — CID 67481969

IUPAC2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide
SMILESCC(O)Cn1cc(C(C(N)=O)C2CCCCCC2)c2c(Br)cccc21
InChIInChI=1S/C20H27BrN2O2/c1-13(24)11-23-12-15(19-16(21)9-6-10-17(19)23)18(20(22)25)14-7-4-2-3-5-8-14/h6,9-10,12-14,18,24H,2-5,7-8,11H2,1H3,(H2,22,25)
InChIKeyZEAFJFVNVSXCMC-UHFFFAOYSA-N
MW407.35 g/mol
LogP4.32
Rot. Bonds5

About 2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide

2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide (PubChem CID 67481969) has the molecular formula C20H27BrN2O2 and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide.

Molecular Properties

Compound Name2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide
PubChem CID67481969
Molecular FormulaC20H27BrN2O2
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide
SMILESCC(O)Cn1cc(C(C(N)=O)C2CCCCCC2)c2c(Br)cccc21
InChIInChI=1S/C20H27BrN2O2/c1-13(24)11-23-12-15(19-16(21)9-6-10-17(19)23)18(20(22)25)14-7-4-2-3-5-8-14/h6,9-10,12-14,18,24H,2-5,7-8,11H2,1H3,(H2,22,25)
InChIKeyZEAFJFVNVSXCMC-UHFFFAOYSA-N
XLogP4.32
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide?
The IUPAC name of 2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide (CID 67481969) is 2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide.
What is the SMILES notation for 2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide?
The canonical SMILES for 2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide is CC(O)Cn1cc(C(C(N)=O)C2CCCCCC2)c2c(Br)cccc21.
What is the InChIKey of 2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide?
The InChIKey is ZEAFJFVNVSXCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O2/c1-13(24)11-23-12-15(19-16(21)9-6-10-17(19)23)18(20(22)25)14-7-4-2-3-5-8-14/h6,9-10,12-14,18,24H,2-5,7-8,11H2,1H3,(H2,22,25).
What are the key properties of 2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide?
2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide has a molecular weight of 407.35 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide is sourced from PubChem (CID 67481969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).