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

C21H20Cl2F3N3O2 — CID 25233754

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C21H20Cl2F3N3O2/c1-28(12-13-4-7-15(22)8-5-13)19(30)18-3-2-10-29(18)20(31)27-17-9-6-14(11-16(17)23)21(24,25)26/h4-9,11,18H,2-3,10,12H2,1H3,(H,27,31)/t18-/m1/s1
InChIKeyMHXWKBQZKBYQFQ-GOSISDBHSA-N
MW474.31 g/mol
LogP5.67
Rot. Bonds4

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

(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 25233754) has the molecular formula C21H20Cl2F3N3O2 and a molecular weight of 474.31 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID25233754
Molecular FormulaC21H20Cl2F3N3O2
Molecular Weight474.31 g/mol
Exact Mass473.09
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C21H20Cl2F3N3O2/c1-28(12-13-4-7-15(22)8-5-13)19(30)18-3-2-10-29(18)20(31)27-17-9-6-14(11-16(17)23)21(24,25)26/h4-9,11,18H,2-3,10,12H2,1H3,(H,27,31)/t18-/m1/s1
InChIKeyMHXWKBQZKBYQFQ-GOSISDBHSA-N
XLogP5.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.31
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-1-phenylpyrrolidine-2-carboxamide
CID 24772565
(R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 24782574
1,2-Pyrrolidinedicarboxamide,N2-[(4-chlorophenyl)methyl]-N2-methyl-N1-[4-(trifluoromethyl)phenyl]-,(2R)-
CID 24782826
(R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-p-tolylpyrrolidine-1,2-dicarboxamide
CID 25233579
(R)-N2-(4-Chlorobenzyl)-N1-(4-cyanophenyl)-N2-methylpyrrolidine-1,2-dicarboxamide
CID 25233581
US10676431, Example 99
CID 139454869
N-(2-chloro-4-methylphenyl)-2-{8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
CID 2578362
N1-(4-Chlorophenyl)-N2-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 3219673
N-(2-chlorophenyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3627944
N-[(4-chlorophenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4878645
N-[(2-chlorophenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4881817
N-(2-chloro-4,6-dimethylphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24325417

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 25233754) is (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is MHXWKBQZKBYQFQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20Cl2F3N3O2/c1-28(12-13-4-7-15(22)8-5-13)19(30)18-3-2-10-29(18)20(31)27-17-9-6-14(11-16(17)23)21(24,25)26/h4-9,11,18H,2-3,10,12H2,1H3,(H,27,31)/t18-/m1/s1.
What are the key properties of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 474.31 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 25233754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).