2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide

C24H24ClF3N2O2 — CID 121476902

IUPAC2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1ccc2c(c1)c(CC(=O)NCC(C)(C)C)c(C(F)(F)F)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClF3N2O2/c1-14-5-10-19-17(11-14)18(12-20(31)29-13-23(2,3)4)21(24(26,27)28)30(19)22(32)15-6-8-16(25)9-7-15/h5-11H,12-13H2,1-4H3,(H,29,31)
InChIKeyLLSLYTFCDAVPMD-UHFFFAOYSA-N
MW464.92 g/mol
LogP6.02
Rot. Bonds4

About 2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide

2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide (PubChem CID 121476902) has the molecular formula C24H24ClF3N2O2 and a molecular weight of 464.92 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide
PubChem CID121476902
Molecular FormulaC24H24ClF3N2O2
Molecular Weight464.92 g/mol
Exact Mass464.15
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1ccc2c(c1)c(CC(=O)NCC(C)(C)C)c(C(F)(F)F)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClF3N2O2/c1-14-5-10-19-17(11-14)18(12-20(31)29-13-23(2,3)4)21(24(26,27)28)30(19)22(32)15-6-8-16(25)9-7-15/h5-11H,12-13H2,1-4H3,(H,29,31)
InChIKeyLLSLYTFCDAVPMD-UHFFFAOYSA-N
XLogP6.02
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.92
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide (CID 121476902) is 2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide is Cc1ccc2c(c1)c(CC(=O)NCC(C)(C)C)c(C(F)(F)F)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is LLSLYTFCDAVPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N2O2/c1-14-5-10-19-17(11-14)18(12-20(31)29-13-23(2,3)4)21(24(26,27)28)30(19)22(32)15-6-8-16(25)9-7-15/h5-11H,12-13H2,1-4H3,(H,29,31).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide?
2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 464.92 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 121476902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).