2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide

C25H19Cl2FN2O2 — CID 53307130

IUPAC2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(F)c1)c(C)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2FN2O2/c1-14-6-9-22-20(10-14)23(24(31)25(32)29-19-5-3-4-18(28)12-19)15(2)30(22)13-16-7-8-17(26)11-21(16)27/h3-12H,13H2,1-2H3,(H,29,32)
InChIKeyWSQVSRYCOHJGKQ-UHFFFAOYSA-N
MW469.34 g/mol
LogP6.57
Rot. Bonds5

About 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide

2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide (PubChem CID 53307130) has the molecular formula C25H19Cl2FN2O2 and a molecular weight of 469.34 g/mol. Its IUPAC name is 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide
PubChem CID53307130
Molecular FormulaC25H19Cl2FN2O2
Molecular Weight469.34 g/mol
Exact Mass468.08
IUPAC Name2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(F)c1)c(C)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2FN2O2/c1-14-6-9-22-20(10-14)23(24(31)25(32)29-19-5-3-4-18(28)12-19)15(2)30(22)13-16-7-8-17(26)11-21(16)27/h3-12H,13H2,1-2H3,(H,29,32)
InChIKeyWSQVSRYCOHJGKQ-UHFFFAOYSA-N
XLogP6.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.34
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide (CID 53307130) is 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide is Cc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(F)c1)c(C)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide?
The InChIKey is WSQVSRYCOHJGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2FN2O2/c1-14-6-9-22-20(10-14)23(24(31)25(32)29-19-5-3-4-18(28)12-19)15(2)30(22)13-16-7-8-17(26)11-21(16)27/h3-12H,13H2,1-2H3,(H,29,32).
What are the key properties of 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide?
2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide has a molecular weight of 469.34 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide is sourced from PubChem (CID 53307130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).