2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide

C24H17Cl3N2O2 — CID 53307127

IUPAC2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide
SMILESCc1c(C(=O)C(=O)Nc2cccc(Cl)c2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H17Cl3N2O2/c1-14-22(23(30)24(31)28-19-4-2-3-17(26)11-19)20-12-18(27)9-10-21(20)29(14)13-15-5-7-16(25)8-6-15/h2-12H,13H2,1H3,(H,28,31)
InChIKeySZTVADARXQWXTB-UHFFFAOYSA-N
MW471.77 g/mol
LogP6.78
Rot. Bonds5

About 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide

2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide (PubChem CID 53307127) has the molecular formula C24H17Cl3N2O2 and a molecular weight of 471.77 g/mol. Its IUPAC name is 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide
PubChem CID53307127
Molecular FormulaC24H17Cl3N2O2
Molecular Weight471.77 g/mol
Exact Mass470.04
IUPAC Name2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide
SMILESCc1c(C(=O)C(=O)Nc2cccc(Cl)c2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H17Cl3N2O2/c1-14-22(23(30)24(31)28-19-4-2-3-17(26)11-19)20-12-18(27)9-10-21(20)29(14)13-15-5-7-16(25)8-6-15/h2-12H,13H2,1H3,(H,28,31)
InChIKeySZTVADARXQWXTB-UHFFFAOYSA-N
XLogP6.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 68911621
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
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
1-[(4-chlorophenyl)methyl]-3-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2-methylindole-5-carboxylic acid
CID 57386189
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 53482691
2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 57405859
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
CID 23514108
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methylindol-3-yl]-N-(2-chloro-4-pyridinyl)-2-oxoacetamide
CID 53307201
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 68911820
2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
CID 23514049
2-[2,5-dimethyl-1-(pyridin-4-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 118177589

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide?
The IUPAC name of 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide (CID 53307127) is 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide is Cc1c(C(=O)C(=O)Nc2cccc(Cl)c2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide?
The InChIKey is SZTVADARXQWXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3N2O2/c1-14-22(23(30)24(31)28-19-4-2-3-17(26)11-19)20-12-18(27)9-10-21(20)29(14)13-15-5-7-16(25)8-6-15/h2-12H,13H2,1H3,(H,28,31).
What are the key properties of 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide?
2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide has a molecular weight of 471.77 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-N-(3-chlorophenyl)-2-oxoacetamide is sourced from PubChem (CID 53307127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).