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

C21H21ClF3N3O2 — CID 24782826

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21ClF3N3O2/c1-27(13-14-4-8-16(22)9-5-14)19(29)18-3-2-12-28(18)20(30)26-17-10-6-15(7-11-17)21(23,24)25/h4-11,18H,2-3,12-13H2,1H3,(H,26,30)/t18-/m1/s1
InChIKeyQSEJUFNTTKWQER-GOSISDBHSA-N
MW439.87 g/mol
LogP5.01
Rot. Bonds4

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

(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 24782826) has the molecular formula C21H21ClF3N3O2 and a molecular weight of 439.87 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID24782826
Molecular FormulaC21H21ClF3N3O2
Molecular Weight439.87 g/mol
Exact Mass439.13
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21ClF3N3O2/c1-27(13-14-4-8-16(22)9-5-14)19(29)18-3-2-12-28(18)20(30)26-17-10-6-15(7-11-17)21(23,24)25/h4-11,18H,2-3,12-13H2,1H3,(H,26,30)/t18-/m1/s1
InChIKeyQSEJUFNTTKWQER-GOSISDBHSA-N
XLogP5.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.87
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 24782826) is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is QSEJUFNTTKWQER-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21ClF3N3O2/c1-27(13-14-4-8-16(22)9-5-14)19(29)18-3-2-12-28(18)20(30)26-17-10-6-15(7-11-17)21(23,24)25/h4-11,18H,2-3,12-13H2,1H3,(H,26,30)/t18-/m1/s1.
What are the key properties of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 439.87 g/mol, XLogP of 5.01, 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-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 24782826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).