2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide

C28H24ClN3O3 — CID 127045067

IUPAC2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)NCCc1c[nH]c3ccccc13)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C28H24ClN3O3/c1-35-21-10-11-26-23(14-21)24(17-32(26)16-18-6-8-20(29)9-7-18)27(33)28(34)30-13-12-19-15-31-25-5-3-2-4-22(19)25/h2-11,14-15,17,31H,12-13,16H2,1H3,(H,30,34)
InChIKeyUSYZHOHDQQCTIE-UHFFFAOYSA-N
MW485.97 g/mol
LogP5.37
Rot. Bonds8

About 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide

2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide (PubChem CID 127045067) has the molecular formula C28H24ClN3O3 and a molecular weight of 485.97 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
PubChem CID127045067
Molecular FormulaC28H24ClN3O3
Molecular Weight485.97 g/mol
Exact Mass485.15
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)NCCc1c[nH]c3ccccc13)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C28H24ClN3O3/c1-35-21-10-11-26-23(14-21)24(17-32(26)16-18-6-8-20(29)9-7-18)27(33)28(34)30-13-12-19-15-31-25-5-3-2-4-22(19)25/h2-11,14-15,17,31H,12-13,16H2,1H3,(H,30,34)
InChIKeyUSYZHOHDQQCTIE-UHFFFAOYSA-N
XLogP5.37
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.97
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide (CID 127045067) is 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide is COc1ccc2c(c1)c(C(=O)C(=O)NCCc1c[nH]c3ccccc13)cn2Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The InChIKey is USYZHOHDQQCTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O3/c1-35-21-10-11-26-23(14-21)24(17-32(26)16-18-6-8-20(29)9-7-18)27(33)28(34)30-13-12-19-15-31-25-5-3-2-4-22(19)25/h2-11,14-15,17,31H,12-13,16H2,1H3,(H,30,34).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide has a molecular weight of 485.97 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 127045067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).