(2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

C21H19Cl2F3IN3O2 — CID 71134588

About (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

(2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 71134588) has the molecular formula C21H19Cl2F3IN3O2 and a molecular weight of 600.21 g/mol. Its IUPAC name is (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
• PubChem CID: 71134588
• Molecular Formula: C21H19Cl2F3IN3O2
• Molecular Weight: 600.21 g/mol
• Exact Mass: 598.99
• IUPAC Name: (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
• SMILES: CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1c(Cl)cc(C(F)(F)F)cc1I
• InChI: InChI=1S/C21H19Cl2F3IN3O2/c1-29(11-12-4-6-14(22)7-5-12)19(31)17-3-2-8-30(17)20(32)28-18-15(23)9-13(10-16(18)27)21(24,25)26/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,28,32)/t17-/m1/s1
• InChIKey: LKIIRKIFNSMLTK-QGZVFWFLSA-N
• XLogP: 6.27
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.21
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?

The IUPAC name of (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 71134588) is (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

What is the SMILES notation for (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?

The canonical SMILES for (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1c(Cl)cc(C(F)(F)F)cc1I.

What is the InChIKey of (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?

The InChIKey is LKIIRKIFNSMLTK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19Cl2F3IN3O2/c1-29(11-12-4-6-14(22)7-5-12)19(31)17-3-2-8-30(17)20(32)28-18-15(23)9-13(10-16(18)27)21(24,25)26/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,28,32)/t17-/m1/s1.

What are the key properties of (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?

(2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 600.21 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-N-[2-chloro-6-iodo-4-(trifluoromethyl)phenyl]-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 71134588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).