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

C22H23ClF3N3O2 — CID 24782574

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClF3N3O2/c1-14-12-16(22(24,25)26)7-10-18(14)27-21(31)29-11-3-4-19(29)20(30)28(2)13-15-5-8-17(23)9-6-15/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyVGKHYFSWFRIGOW-LJQANCHMSA-N
MW453.89 g/mol
LogP5.32
Rot. Bonds4

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

(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 24782574) has the molecular formula C22H23ClF3N3O2 and a molecular weight of 453.89 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID24782574
Molecular FormulaC22H23ClF3N3O2
Molecular Weight453.89 g/mol
Exact Mass453.14
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClF3N3O2/c1-14-12-16(22(24,25)26)7-10-18(14)27-21(31)29-11-3-4-19(29)20(30)28(2)13-15-5-8-17(23)9-6-15/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyVGKHYFSWFRIGOW-LJQANCHMSA-N
XLogP5.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.89
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-((R)-1-(4-(2-((S)-1-(2-aminoethylamino)-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)pyrrolidin-2-one
CID 44433270
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
(R)-N2-(4-Chlorobenzyl)-N1-[2-chloro-4-(trifluoromethyl)phenyl]-N2-methylpyrrolidine-1,2-dicarboxamide
CID 25233754
(R)-1-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)-3-phenylurea
CID 57888949
US10676431, Example 21
CID 139454944
2-[(4E)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2062489
N1-(4-Chlorophenyl)-N2-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 3219673
Pyrrolidine-1,2-dicarboxylic acid 2-p-tolylamide 1-[(2,4,6-trimethyl-phenyl)-amide]
CID 3221233
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 3956208
N-[(4-chlorophenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4878645

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 24782574) is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is VGKHYFSWFRIGOW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23ClF3N3O2/c1-14-12-16(22(24,25)26)7-10-18(14)27-21(31)29-11-3-4-19(29)20(30)28(2)13-15-5-8-17(23)9-6-15/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,27,31)/t19-/m1/s1.
What are the key properties of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 453.89 g/mol, XLogP of 5.32, 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]-2-N-methyl-1-N-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 24782574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).