2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

C28H28ClF3N2O4 — CID 131974167

About 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone

2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 131974167) has the molecular formula C28H28ClF3N2O4 and a molecular weight of 548.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 131974167
• Molecular Formula: C28H28ClF3N2O4
• Molecular Weight: 548.99 g/mol
• Exact Mass: 548.17
• IUPAC Name: 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
• SMILES: COc1cc(OCCO)cc(N(C)C(C(=O)N2CCc3c(C)cc(C(F)(F)F)cc32)c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C28H28ClF3N2O4/c1-17-12-19(28(30,31)32)13-25-24(17)8-9-34(25)27(36)26(18-4-6-20(29)7-5-18)33(2)21-14-22(37-3)16-23(15-21)38-11-10-35/h4-7,12-16,26,35H,8-11H2,1-3H3
• InChIKey: YCRWUGSPIDRCEP-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 62.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.99
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone (CID 131974167) is 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone is COc1cc(OCCO)cc(N(C)C(C(=O)N2CCc3c(C)cc(C(F)(F)F)cc32)c2ccc(Cl)cc2)c1.

What is the InChIKey of 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is YCRWUGSPIDRCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClF3N2O4/c1-17-12-19(28(30,31)32)13-25-24(17)8-9-34(25)27(36)26(18-4-6-20(29)7-5-18)33(2)21-14-22(37-3)16-23(15-21)38-11-10-35/h4-7,12-16,26,35H,8-11H2,1-3H3.

What are the key properties of 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone?

2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 548.99 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxy-N-methylanilino]-1-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 131974167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).