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

C21H24ClN3O2 — CID 25233579

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-15-5-11-18(12-6-15)23-21(27)25-13-3-4-19(25)20(26)24(2)14-16-7-9-17(22)10-8-16/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyQSIDEHNFILGLHV-LJQANCHMSA-N
MW385.90 g/mol
LogP4.30
Rot. Bonds4

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

(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 25233579) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID25233579
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-15-5-11-18(12-6-15)23-21(27)25-13-3-4-19(25)20(26)24(2)14-16-7-9-17(22)10-8-16/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyQSIDEHNFILGLHV-LJQANCHMSA-N
XLogP4.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

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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-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 25233579) is (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is QSIDEHNFILGLHV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15-5-11-18(12-6-15)23-21(27)25-13-3-4-19(25)20(26)24(2)14-16-7-9-17(22)10-8-16/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,27)/t19-/m1/s1.
What are the key properties of (2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.30, 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-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 25233579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).