2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

C24H19Cl2N3O3 — CID 68905533

IUPAC2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESCCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncc1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2N3O3/c1-2-32-18-7-8-20-19(13-18)21(22(30)24(31)28-17-9-11-27-12-10-17)23(26)29(20)14-15-3-5-16(25)6-4-15/h3-13H,2,14H2,1H3,(H,27,28,31)
InChIKeyNXPCHWCNULHKSZ-UHFFFAOYSA-N
MW468.34 g/mol
LogP5.61
Rot. Bonds7

About 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (PubChem CID 68905533) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID68905533
Molecular FormulaC24H19Cl2N3O3
Molecular Weight468.34 g/mol
Exact Mass467.08
IUPAC Name2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
SMILESCCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncc1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2N3O3/c1-2-32-18-7-8-20-19(13-18)21(22(30)24(31)28-17-9-11-27-12-10-17)23(26)29(20)14-15-3-5-16(25)6-4-15/h3-13H,2,14H2,1H3,(H,27,28,31)
InChIKeyNXPCHWCNULHKSZ-UHFFFAOYSA-N
XLogP5.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide (CID 68905533) is 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncc1)c(Cl)n2Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
The InChIKey is NXPCHWCNULHKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c1-2-32-18-7-8-20-19(13-18)21(22(30)24(31)28-17-9-11-27-12-10-17)23(26)29(20)14-15-3-5-16(25)6-4-15/h3-13H,2,14H2,1H3,(H,27,28,31).
What are the key properties of 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide?
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide has a molecular weight of 468.34 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide is sourced from PubChem (CID 68905533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).