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

C21H24ClN3O3 — CID 25233582

IUPAC(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-24(14-15-5-7-16(22)8-6-15)20(26)19-4-3-13-25(19)21(27)23-17-9-11-18(28-2)12-10-17/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyXWOKFTGDEOYZCF-LJQANCHMSA-N
MW401.89 g/mol
LogP4.00
Rot. Bonds5

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

(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 25233582) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID25233582
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-24(14-15-5-7-16(22)8-6-15)20(26)19-4-3-13-25(19)21(27)23-17-9-11-18(28-2)12-10-17/h5-12,19H,3-4,13-14H2,1-2H3,(H,23,27)/t19-/m1/s1
InChIKeyXWOKFTGDEOYZCF-LJQANCHMSA-N
XLogP4.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.00
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-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 25233582) is (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide is COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is XWOKFTGDEOYZCF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-24(14-15-5-7-16(22)8-6-15)20(26)19-4-3-13-25(19)21(27)23-17-9-11-18(28-2)12-10-17/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]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide?
(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-(4-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 401.89 g/mol, XLogP of 4.00, 5 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-methoxyphenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 25233582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).