3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide

C23H24F3N3O3 — CID 55962252

About 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 55962252) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
• PubChem CID: 55962252
• Molecular Formula: C23H24F3N3O3
• Molecular Weight: 447.46 g/mol
• Exact Mass: 447.18
• IUPAC Name: 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
• SMILES: Cc1c(C(=O)NC(CN2CCCC2=O)c2cccc(C(F)(F)F)c2)[nH]c2c1C(=O)CCC2
• InChI: InChI=1S/C23H24F3N3O3/c1-13-20-16(7-3-8-18(20)30)27-21(13)22(32)28-17(12-29-10-4-9-19(29)31)14-5-2-6-15(11-14)23(24,25)26/h2,5-6,11,17,27H,3-4,7-10,12H2,1H3,(H,28,32)
• InChIKey: VRJBDOWAMWVQOV-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 82.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.46
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?

The IUPAC name of 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide (CID 55962252) is 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide.

What is the SMILES notation for 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?

The canonical SMILES for 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NC(CN2CCCC2=O)c2cccc(C(F)(F)F)c2)[nH]c2c1C(=O)CCC2.

What is the InChIKey of 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?

The InChIKey is VRJBDOWAMWVQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-13-20-16(7-3-8-18(20)30)27-21(13)22(32)28-17(12-29-10-4-9-19(29)31)14-5-2-6-15(11-14)23(24,25)26/h2,5-6,11,17,27H,3-4,7-10,12H2,1H3,(H,28,32).

What are the key properties of 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?

3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-4-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 55962252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).