2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone

C117H134Cl4N8O9 — CID 158661028

IUPAC2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone
SMILESCC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccc(Cl)cc2)C3)c2c(C)cccc12.CC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccccc2)C3)c2c(Cl)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12
InChIInChI=1S/C30H35ClN2O3.C30H35ClN2O2.C29H33ClN2O2.C28H31ClN2O2/c1-19(16-32-18-27(20(2)34)26-5-4-6-29(36-3)30(26)32)17-33-24-11-12-25(33)14-21(13-24)15-28(35)22-7-9-23(31)10-8-22;1-3-22-6-4-7-27-28(20(2)34)19-32(30(22)27)14-5-15-33-25-12-13-26(33)17-21(16-25)18-29(35)23-8-10-24(31)11-9-23;1-19-5-3-6-26-27(20(2)33)18-31(29(19)26)13-4-14-32-24-11-12-25(32)16-21(15-24)17-28(34)22-7-9-23(30)10-8-22;1-19(32)25-18-30(28-24(25)9-5-10-26(28)29)13-6-14-31-22-11-12-23(31)16-20(15-22)17-27(33)21-7-3-2-4-8-21/h4-10,18-19,21,24-25H,11-17H2,1-3H3;4,6-11,19,21,25-26H,3,5,12-18H2,1-2H3;3,5-10,18,21,24-25H,4,11-17H2,1-2H3;2-5,7-10,18,20,22-23H,6,11-17H2,1H3
InChIKeyICTLTNZOSTZWLW-UHFFFAOYSA-N
MW1938.22 g/mol
LogP26.74
Rot. Bonds34

About 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone

2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone (PubChem CID 158661028) has the molecular formula C117H134Cl4N8O9 and a molecular weight of 1938.22 g/mol. Its IUPAC name is 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone
PubChem CID158661028
Molecular FormulaC117H134Cl4N8O9
Molecular Weight1938.22 g/mol
Exact Mass1934.90
IUPAC Name2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone
SMILESCC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccc(Cl)cc2)C3)c2c(C)cccc12.CC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccccc2)C3)c2c(Cl)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12
InChIInChI=1S/C30H35ClN2O3.C30H35ClN2O2.C29H33ClN2O2.C28H31ClN2O2/c1-19(16-32-18-27(20(2)34)26-5-4-6-29(36-3)30(26)32)17-33-24-11-12-25(33)14-21(13-24)15-28(35)22-7-9-23(31)10-8-22;1-3-22-6-4-7-27-28(20(2)34)19-32(30(22)27)14-5-15-33-25-12-13-26(33)17-21(16-25)18-29(35)23-8-10-24(31)11-9-23;1-19-5-3-6-26-27(20(2)33)18-31(29(19)26)13-4-14-32-24-11-12-25(32)16-21(15-24)17-28(34)22-7-9-23(30)10-8-22;1-19(32)25-18-30(28-24(25)9-5-10-26(28)29)13-6-14-31-22-11-12-23(31)16-20(15-22)17-27(33)21-7-3-2-4-8-21/h4-10,18-19,21,24-25H,11-17H2,1-3H3;4,6-11,19,21,25-26H,3,5,12-18H2,1-2H3;3,5-10,18,21,24-25H,4,11-17H2,1-2H3;2-5,7-10,18,20,22-23H,6,11-17H2,1H3
InChIKeyICTLTNZOSTZWLW-UHFFFAOYSA-N
XLogP26.74
TPSA178.47 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds34
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001938.22
LogP ≤ 526.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone (CID 158661028) is 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone is CC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccc(Cl)cc2)C3)c2c(C)cccc12.CC(=O)c1cn(CCCN2C3CCC2CC(CC(=O)c2ccccc2)C3)c2c(Cl)cccc12.CCc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(C)=O)cn(CC(C)CN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.
What is the InChIKey of 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone?
The InChIKey is ICTLTNZOSTZWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN2O3.C30H35ClN2O2.C29H33ClN2O2.C28H31ClN2O2/c1-19(16-32-18-27(20(2)34)26-5-4-6-29(36-3)30(26)32)17-33-24-11-12-25(33)14-21(13-24)15-28(35)22-7-9-23(31)10-8-22;1-3-22-6-4-7-27-28(20(2)34)19-32(30(22)27)14-5-15-33-25-12-13-26(33)17-21(16-25)18-29(35)23-8-10-24(31)11-9-23;1-19-5-3-6-26-27(20(2)33)18-31(29(19)26)13-4-14-32-24-11-12-25(32)16-21(15-24)17-28(34)22-7-9-23(30)10-8-22;1-19(32)25-18-30(28-24(25)9-5-10-26(28)29)13-6-14-31-22-11-12-23(31)16-20(15-22)17-27(33)21-7-3-2-4-8-21/h4-10,18-19,21,24-25H,11-17H2,1-3H3;4,6-11,19,21,25-26H,3,5,12-18H2,1-2H3;3,5-10,18,21,24-25H,4,11-17H2,1-2H3;2-5,7-10,18,20,22-23H,6,11-17H2,1H3.
What are the key properties of 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone?
2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone has a molecular weight of 1938.22 g/mol, XLogP of 26.74, 34 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[3-(3-acetyl-7-chloroindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone;2-[8-[3-(3-acetyl-7-ethylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methoxyindol-1-yl)-2-methylpropyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone;2-[8-[3-(3-acetyl-7-methylindol-1-yl)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 158661028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).