2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

C25H19Cl3N2O4 — CID 68908072

IUPAC2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3Cl)c3ccc(OC)cc23)cc1
InChIInChI=1S/C25H19Cl3N2O4/c1-33-17-7-5-16(6-8-17)29-25(32)23(31)22-19-12-18(34-2)9-10-21(19)30(24(22)28)13-14-3-4-15(26)11-20(14)27/h3-12H,13H2,1-2H3,(H,29,32)
InChIKeyAZWUEUUDXQAWMA-UHFFFAOYSA-N
MW517.80 g/mol
LogP6.49
Rot. Bonds7

About 2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 68908072) has the molecular formula C25H19Cl3N2O4 and a molecular weight of 517.80 g/mol. Its IUPAC name is 2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID68908072
Molecular FormulaC25H19Cl3N2O4
Molecular Weight517.80 g/mol
Exact Mass516.04
IUPAC Name2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3Cl)c3ccc(OC)cc23)cc1
InChIInChI=1S/C25H19Cl3N2O4/c1-33-17-7-5-16(6-8-17)29-25(32)23(31)22-19-12-18(34-2)9-10-21(19)30(24(22)28)13-14-3-4-15(26)11-20(14)27/h3-12H,13H2,1-2H3,(H,29,32)
InChIKeyAZWUEUUDXQAWMA-UHFFFAOYSA-N
XLogP6.49
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.80
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2,5-dichloro-1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68907507
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68911820
2-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-3-ylacetamide;2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 87660617
2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide;2-[1-[(2,4-dichlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyrimidin-4-ylacetamide
CID 158518060
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 53308195
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-phenylacetamide
CID 161243659
2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 53482570
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenyl-1,3-oxazol-2-yl)methanone
CID 67245188
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 68905533
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 53482691
N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 68911621

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide (CID 68908072) is 2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3Cl)c3ccc(OC)cc23)cc1.
What is the InChIKey of 2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is AZWUEUUDXQAWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl3N2O4/c1-33-17-7-5-16(6-8-17)29-25(32)23(31)22-19-12-18(34-2)9-10-21(19)30(24(22)28)13-14-3-4-15(26)11-20(14)27/h3-12H,13H2,1-2H3,(H,29,32).
What are the key properties of 2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
2-[2-chloro-1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 517.80 g/mol, XLogP of 6.49, 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-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 68908072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).