2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide

C27H26FN3O3 — CID 176646817

IUPAC2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide
SMILESCc1cccc(C2C(C(=O)Nc3ccccc3C)C(=O)N(C)C2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C27H26FN3O3/c1-16-9-8-11-18(15-16)22-23(25(32)29-20-13-6-4-10-17(20)2)27(34)31(3)24(22)26(33)30-21-14-7-5-12-19(21)28/h4-15,22-24H,1-3H3,(H,29,32)(H,30,33)
InChIKeyOEHXFZBTKDJKKZ-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.26
Rot. Bonds5

About 2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide

2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide (PubChem CID 176646817) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide
PubChem CID176646817
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC Name2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide
SMILESCc1cccc(C2C(C(=O)Nc3ccccc3C)C(=O)N(C)C2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C27H26FN3O3/c1-16-9-8-11-18(15-16)22-23(25(32)29-20-13-6-4-10-17(20)2)27(34)31(3)24(22)26(33)30-21-14-7-5-12-19(21)28/h4-15,22-24H,1-3H3,(H,29,32)(H,30,33)
InChIKeyOEHXFZBTKDJKKZ-UHFFFAOYSA-N
XLogP4.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide 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-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide (CID 176646817) is 2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide is Cc1cccc(C2C(C(=O)Nc3ccccc3C)C(=O)N(C)C2C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide?
The InChIKey is OEHXFZBTKDJKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c1-16-9-8-11-18(15-16)22-23(25(32)29-20-13-6-4-10-17(20)2)27(34)31(3)24(22)26(33)30-21-14-7-5-12-19(21)28/h4-15,22-24H,1-3H3,(H,29,32)(H,30,33).
What are the key properties of 2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide?
2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide has a molecular weight of 459.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-1-methyl-4-N-(2-methylphenyl)-3-(3-methylphenyl)-5-oxopyrrolidine-2,4-dicarboxamide is sourced from PubChem (CID 176646817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).