2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide

C22H27F3N2O3 — CID 71077817

IUPAC2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide
SMILESO=C(CC1CCCCCC1)Nc1cn(CC2(O)COC2)c2cccc(C(F)(F)F)c12
InChIInChI=1S/C22H27F3N2O3/c23-22(24,25)16-8-5-9-18-20(16)17(11-27(18)12-21(29)13-30-14-21)26-19(28)10-15-6-3-1-2-4-7-15/h5,8-9,11,15,29H,1-4,6-7,10,12-14H2,(H,26,28)
InChIKeyGJRJTWDPEGLIAH-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.72
Rot. Bonds5

About 2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide

2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide (PubChem CID 71077817) has the molecular formula C22H27F3N2O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide
PubChem CID71077817
Molecular FormulaC22H27F3N2O3
Molecular Weight424.46 g/mol
Exact Mass424.20
IUPAC Name2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide
SMILESO=C(CC1CCCCCC1)Nc1cn(CC2(O)COC2)c2cccc(C(F)(F)F)c12
InChIInChI=1S/C22H27F3N2O3/c23-22(24,25)16-8-5-9-18-20(16)17(11-27(18)12-21(29)13-30-14-21)26-19(28)10-15-6-3-1-2-4-7-15/h5,8-9,11,15,29H,1-4,6-7,10,12-14H2,(H,26,28)
InChIKeyGJRJTWDPEGLIAH-UHFFFAOYSA-N
XLogP4.72
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide?
The IUPAC name of 2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide (CID 71077817) is 2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide.
What is the SMILES notation for 2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide?
The canonical SMILES for 2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide is O=C(CC1CCCCCC1)Nc1cn(CC2(O)COC2)c2cccc(C(F)(F)F)c12.
What is the InChIKey of 2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide?
The InChIKey is GJRJTWDPEGLIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O3/c23-22(24,25)16-8-5-9-18-20(16)17(11-27(18)12-21(29)13-30-14-21)26-19(28)10-15-6-3-1-2-4-7-15/h5,8-9,11,15,29H,1-4,6-7,10,12-14H2,(H,26,28).
What are the key properties of 2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide?
2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide has a molecular weight of 424.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-[1-[(3-hydroxyoxetan-3-yl)methyl]-4-(trifluoromethyl)indol-3-yl]acetamide is sourced from PubChem (CID 71077817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).