N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide

C28H26F6N2O4 — CID 4978721

About N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide

N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 4978721) has the molecular formula C28H26F6N2O4 and a molecular weight of 568.51 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 4978721
• Molecular Formula: C28H26F6N2O4
• Molecular Weight: 568.51 g/mol
• Exact Mass: 568.18
• IUPAC Name: N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide
• SMILES: COc1ccc(CCN2C(=O)C(NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1
• InChI: InChI=1S/C28H26F6N2O4/c1-25(2)14-20-22(21(37)15-25)26(28(32,33)34,35-23(38)17-5-4-6-18(13-17)27(29,30)31)24(39)36(20)12-11-16-7-9-19(40-3)10-8-16/h4-10,13H,11-12,14-15H2,1-3H3,(H,35,38)
• InChIKey: GQJVWMNRWKVYPI-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.51
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide (CID 4978721) is N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide is COc1ccc(CCN2C(=O)C(NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1.

What is the InChIKey of N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is GQJVWMNRWKVYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F6N2O4/c1-25(2)14-20-22(21(37)15-25)26(28(32,33)34,35-23(38)17-5-4-6-18(13-17)27(29,30)31)24(39)36(20)12-11-16-7-9-19(40-3)10-8-16/h4-10,13H,11-12,14-15H2,1-3H3,(H,35,38).

What are the key properties of N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide?

N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 568.51 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(4-methoxyphenyl)ethyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4978721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).