1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline

C89H105F6N7O14 — CID 161401060

About 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline

1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline (PubChem CID 161401060) has the molecular formula C89H105F6N7O14 and a molecular weight of 1610.84 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline
• PubChem CID: 161401060
• Molecular Formula: C89H105F6N7O14
• Molecular Weight: 1610.84 g/mol
• Exact Mass: 1609.76
• IUPAC Name: 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline
• SMILES: COC(=O)C1(C)CC(=O)N(c2c(C)cccc2C)C1.COC(=O)C1(C)CN(c2c(C)cccc2C)C(=O)C1C.COC(=O)C1CC(=O)N(c2c(C)cccc2C)C1.Cc1cc(N)cc(C(F)(F)F)c1.Cc1cc(NC(=O)C2(C)CC(=O)N(c3c(C)cccc3C)C2)cc(C(F)(F)F)c1.Cc1cccc(C)c1N1CC(C)(C(=O)O)CC1=O
• InChI: InChI=1S/C22H23F3N2O2.C16H21NO3.C15H19NO3.2C14H17NO3.C8H8F3N/c1-13-8-16(22(23,24)25)10-17(9-13)26-20(29)21(4)11-18(28)27(12-21)19-14(2)6-5-7-15(19)3;1-10-7-6-8-11(2)13(10)17-9-16(4,15(19)20-5)12(3)14(17)18;1-10-6-5-7-11(2)13(10)16-9-15(3,8-12(16)17)14(18)19-4;1-9-5-4-6-10(2)12(9)15-8-14(3,13(17)18)7-11(15)16;1-9-5-4-6-10(2)13(9)15-8-11(7-12(15)16)14(17)18-3;1-5-2-6(8(9,10)11)4-7(12)3-5/h5-10H,11-12H2,1-4H3,(H,26,29);6-8,12H,9H2,1-5H3;5-7H,8-9H2,1-4H3;4-6H,7-8H2,1-3H3,(H,17,18);4-6,11H,7-8H2,1-3H3;2-4H,12H2,1H3
• InChIKey: VUFYIVPHSHBPKW-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 272.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1610.84
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline?

The IUPAC name of 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline (CID 161401060) is 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline.

What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline?

The canonical SMILES for 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline is COC(=O)C1(C)CC(=O)N(c2c(C)cccc2C)C1.COC(=O)C1(C)CN(c2c(C)cccc2C)C(=O)C1C.COC(=O)C1CC(=O)N(c2c(C)cccc2C)C1.Cc1cc(N)cc(C(F)(F)F)c1.Cc1cc(NC(=O)C2(C)CC(=O)N(c3c(C)cccc3C)C2)cc(C(F)(F)F)c1.Cc1cccc(C)c1N1CC(C)(C(=O)O)CC1=O.

What is the InChIKey of 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline?

The InChIKey is VUFYIVPHSHBPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2.C16H21NO3.C15H19NO3.2C14H17NO3.C8H8F3N/c1-13-8-16(22(23,24)25)10-17(9-13)26-20(29)21(4)11-18(28)27(12-21)19-14(2)6-5-7-15(19)3;1-10-7-6-8-11(2)13(10)17-9-16(4,15(19)20-5)12(3)14(17)18;1-10-6-5-7-11(2)13(10)16-9-15(3,8-12(16)17)14(18)19-4;1-9-5-4-6-10(2)12(9)15-8-14(3,13(17)18)7-11(15)16;1-9-5-4-6-10(2)13(9)15-8-11(7-12(15)16)14(17)18-3;1-5-2-6(8(9,10)11)4-7(12)3-5/h5-10H,11-12H2,1-4H3,(H,26,29);6-8,12H,9H2,1-5H3;5-7H,8-9H2,1-4H3;4-6H,7-8H2,1-3H3,(H,17,18);4-6,11H,7-8H2,1-3H3;2-4H,12H2,1H3.

What are the key properties of 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline?

1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline has a molecular weight of 1610.84 g/mol, XLogP of 16.25, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylphenyl)-3-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide;1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid;methyl 1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate;methyl 1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate;3-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 161401060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).