2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide

C45H49ClFN3O7 — CID 177320478

IUPAC2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide
SMILESCN(CCCOCCOCCOCCOCCNCc1ccc2cc(CCc3ccc(F)cc3)oc2c1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C45H49ClFN3O7/c1-50(45(52)44(51)42-39-5-2-3-6-40(39)49-43(42)34-12-14-36(46)15-13-34)20-4-21-53-23-25-55-27-28-56-26-24-54-22-19-48-31-33-7-11-35-30-38(57-41(35)29-33)18-10-32-8-16-37(47)17-9-32/h2-3,5-9,11-17,29-30,48-49H,4,10,18-28,31H2,1H3
InChIKeyCYXALZNJTHUHGR-UHFFFAOYSA-N
MW798.35 g/mol
LogP8.05
Rot. Bonds24

About 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide

2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide (PubChem CID 177320478) has the molecular formula C45H49ClFN3O7 and a molecular weight of 798.35 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide
PubChem CID177320478
Molecular FormulaC45H49ClFN3O7
Molecular Weight798.35 g/mol
Exact Mass797.32
IUPAC Name2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide
SMILESCN(CCCOCCOCCOCCOCCNCc1ccc2cc(CCc3ccc(F)cc3)oc2c1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C45H49ClFN3O7/c1-50(45(52)44(51)42-39-5-2-3-6-40(39)49-43(42)34-12-14-36(46)15-13-34)20-4-21-53-23-25-55-27-28-56-26-24-54-22-19-48-31-33-7-11-35-30-38(57-41(35)29-33)18-10-32-8-16-37(47)17-9-32/h2-3,5-9,11-17,29-30,48-49H,4,10,18-28,31H2,1H3
InChIKeyCYXALZNJTHUHGR-UHFFFAOYSA-N
XLogP8.05
TPSA115.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.35
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide (CID 177320478) is 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide is CN(CCCOCCOCCOCCOCCNCc1ccc2cc(CCc3ccc(F)cc3)oc2c1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide?
The InChIKey is CYXALZNJTHUHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H49ClFN3O7/c1-50(45(52)44(51)42-39-5-2-3-6-40(39)49-43(42)34-12-14-36(46)15-13-34)20-4-21-53-23-25-55-27-28-56-26-24-54-22-19-48-31-33-7-11-35-30-38(57-41(35)29-33)18-10-32-8-16-37(47)17-9-32/h2-3,5-9,11-17,29-30,48-49H,4,10,18-28,31H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide?
2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide has a molecular weight of 798.35 g/mol, XLogP of 8.05, 24 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[3-[2-[2-[2-[2-[[2-[2-(4-fluorophenyl)ethyl]-1-benzofuran-6-yl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 177320478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).