(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide

C21H21ClN4O2 — CID 25233581

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C21H21ClN4O2/c1-25(14-16-4-8-17(22)9-5-16)20(27)19-3-2-12-26(19)21(28)24-18-10-6-15(13-23)7-11-18/h4-11,19H,2-3,12,14H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyGGYSZKXJGGRBMC-LJQANCHMSA-N
MW396.88 g/mol
LogP3.87
Rot. Bonds4

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

(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 25233581) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID25233581
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C21H21ClN4O2/c1-25(14-16-4-8-17(22)9-5-16)20(27)19-3-2-12-26(19)21(28)24-18-10-6-15(13-23)7-11-18/h4-11,19H,2-3,12,14H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyGGYSZKXJGGRBMC-LJQANCHMSA-N
XLogP3.87
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 25233581) is (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide is CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is GGYSZKXJGGRBMC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-25(14-16-4-8-17(22)9-5-16)20(27)19-3-2-12-26(19)21(28)24-18-10-6-15(13-23)7-11-18/h4-11,19H,2-3,12,14H2,1H3,(H,24,28)/t19-/m1/s1.
What are the key properties of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-cyanophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 25233581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).