6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one

C23H16Cl2F3NO — CID 46948279

IUPAC6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one
SMILESCC1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2cc(-c3ccccc3Cl)ccc21
InChIInChI=1S/C23H16Cl2F3NO/c1-22(12-14-10-15(24)7-9-17(14)23(26,27)28)18-8-6-13(11-20(18)29-21(22)30)16-4-2-3-5-19(16)25/h2-11H,12H2,1H3,(H,29,30)
InChIKeyLHDXFVHXVXHDRR-UHFFFAOYSA-N
MW450.29 g/mol
LogP7.13
Rot. Bonds3

About 6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one

6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one (PubChem CID 46948279) has the molecular formula C23H16Cl2F3NO and a molecular weight of 450.29 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one
PubChem CID46948279
Molecular FormulaC23H16Cl2F3NO
Molecular Weight450.29 g/mol
Exact Mass449.06
IUPAC Name6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one
SMILESCC1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2cc(-c3ccccc3Cl)ccc21
InChIInChI=1S/C23H16Cl2F3NO/c1-22(12-14-10-15(24)7-9-17(14)23(26,27)28)18-8-6-13(11-20(18)29-21(22)30)16-4-2-3-5-19(16)25/h2-11H,12H2,1H3,(H,29,30)
InChIKeyLHDXFVHXVXHDRR-UHFFFAOYSA-N
XLogP7.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.29
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one?
The IUPAC name of 6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one (CID 46948279) is 6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one.
What is the SMILES notation for 6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one?
The canonical SMILES for 6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one is CC1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2cc(-c3ccccc3Cl)ccc21.
What is the InChIKey of 6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one?
The InChIKey is LHDXFVHXVXHDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F3NO/c1-22(12-14-10-15(24)7-9-17(14)23(26,27)28)18-8-6-13(11-20(18)29-21(22)30)16-4-2-3-5-19(16)25/h2-11H,12H2,1H3,(H,29,30).
What are the key properties of 6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one?
6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one has a molecular weight of 450.29 g/mol, XLogP of 7.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one is sourced from PubChem (CID 46948279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).