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

C21H23Cl2N3O3 — CID 25233947

IUPAC(2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C([C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)N(CCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2N3O3/c22-16-5-3-15(4-6-16)14-25(12-13-27)20(28)19-2-1-11-26(19)21(29)24-18-9-7-17(23)8-10-18/h3-10,19,27H,1-2,11-14H2,(H,24,29)/t19-/m1/s1
InChIKeyFQWBDUFZBTXGOR-LJQANCHMSA-N
MW436.34 g/mol
LogP4.01
Rot. Bonds6

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

(2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 25233947) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID25233947
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC Name(2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C([C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)N(CCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H23Cl2N3O3/c22-16-5-3-15(4-6-16)14-25(12-13-27)20(28)19-2-1-11-26(19)21(29)24-18-9-7-17(23)8-10-18/h3-10,19,27H,1-2,11-14H2,(H,24,29)/t19-/m1/s1
InChIKeyFQWBDUFZBTXGOR-LJQANCHMSA-N
XLogP4.01
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 24782574
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
1-Benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 73012381
2-{[(4-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645836
2-[Bis-(2-hydroxy-ethyl)-amino]-N-(4-chloro-phenyl)-2-phenyl-acetamide
CID 646941
N1-(4-Chlorophenyl)-N2-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 3219673
2-(4-chlorophenyl)-3-phenylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 3239489
N-[(4-chlorophenyl)methyl]-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4878645
N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24982572

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide (CID 25233947) is (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide is O=C([C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)N(CCO)Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is FQWBDUFZBTXGOR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c22-16-5-3-15(4-6-16)14-25(12-13-27)20(28)19-2-1-11-26(19)21(29)24-18-9-7-17(23)8-10-18/h3-10,19,27H,1-2,11-14H2,(H,24,29)/t19-/m1/s1.
What are the key properties of (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 436.34 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(4-chlorophenyl)-2-N-[(4-chlorophenyl)methyl]-2-N-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 25233947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).