2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide

C21H23ClN2O2 — CID 68977244

IUPAC2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2
InChIInChI=1S/C21H23ClN2O2/c22-16-5-3-15(4-6-16)21(9-1-10-21)20-18-12-17(26-13-19(23)25)7-2-14(18)8-11-24-20/h2-7,12,20,24H,1,8-11,13H2,(H2,23,25)
InChIKeyLHBPUSIWIAAZBK-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.51
Rot. Bonds5

About 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide

2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide (PubChem CID 68977244) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide
PubChem CID68977244
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2
InChIInChI=1S/C21H23ClN2O2/c22-16-5-3-15(4-6-16)21(9-1-10-21)20-18-12-17(26-13-19(23)25)7-2-14(18)8-11-24-20/h2-7,12,20,24H,1,8-11,13H2,(H2,23,25)
InChIKeyLHBPUSIWIAAZBK-UHFFFAOYSA-N
XLogP3.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide?
The IUPAC name of 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide (CID 68977244) is 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide.
What is the SMILES notation for 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide?
The canonical SMILES for 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide is NC(=O)COc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2.
What is the InChIKey of 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide?
The InChIKey is LHBPUSIWIAAZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-16-5-3-15(4-6-16)21(9-1-10-21)20-18-12-17(26-13-19(23)25)7-2-14(18)8-11-24-20/h2-7,12,20,24H,1,8-11,13H2,(H2,23,25).
What are the key properties of 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide?
2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide has a molecular weight of 370.88 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]acetamide is sourced from PubChem (CID 68977244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).