2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide

C19H14ClF3N2O5S — CID 71550737

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NS(=O)(=O)C(F)(F)F)cn2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF3N2O5S/c1-30-14-6-7-16-15(9-14)12(8-17(26)24-31(28,29)19(21,22)23)10-25(16)18(27)11-2-4-13(20)5-3-11/h2-7,9-10H,8H2,1H3,(H,24,26)
InChIKeyLOPOBSJDASSEKN-UHFFFAOYSA-N
MW474.84 g/mol
LogP3.50
Rot. Bonds5

About 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide

2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 71550737) has the molecular formula C19H14ClF3N2O5S and a molecular weight of 474.84 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide
PubChem CID71550737
Molecular FormulaC19H14ClF3N2O5S
Molecular Weight474.84 g/mol
Exact Mass474.03
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NS(=O)(=O)C(F)(F)F)cn2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF3N2O5S/c1-30-14-6-7-16-15(9-14)12(8-17(26)24-31(28,29)19(21,22)23)10-25(16)18(27)11-2-4-13(20)5-3-11/h2-7,9-10H,8H2,1H3,(H,24,26)
InChIKeyLOPOBSJDASSEKN-UHFFFAOYSA-N
XLogP3.50
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide (CID 71550737) is 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide is COc1ccc2c(c1)c(CC(=O)NS(=O)(=O)C(F)(F)F)cn2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is LOPOBSJDASSEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O5S/c1-30-14-6-7-16-15(9-14)12(8-17(26)24-31(28,29)19(21,22)23)10-25(16)18(27)11-2-4-13(20)5-3-11/h2-7,9-10H,8H2,1H3,(H,24,26).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 474.84 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 71550737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).