(3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione

C24H19Cl2NO3 — CID 135004670

IUPAC(3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione
SMILESO=C1[C@H](c2ccc(Cl)cc2)[C@@](O)(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H19Cl2NO3/c25-19-10-6-16(7-11-19)14-24(30)21(18-8-12-20(26)13-9-18)22(28)27(23(24)29)15-17-4-2-1-3-5-17/h1-13,21,30H,14-15H2/t21-,24-/m0/s1
InChIKeyPZUQVZVPCAVTDU-URXFXBBRSA-N
MW440.33 g/mol
LogP4.62
Rot. Bonds5

About (3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione

(3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione (PubChem CID 135004670) has the molecular formula C24H19Cl2NO3 and a molecular weight of 440.33 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione
PubChem CID135004670
Molecular FormulaC24H19Cl2NO3
Molecular Weight440.33 g/mol
Exact Mass439.07
IUPAC Name(3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione
SMILESO=C1[C@H](c2ccc(Cl)cc2)[C@@](O)(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H19Cl2NO3/c25-19-10-6-16(7-11-19)14-24(30)21(18-8-12-20(26)13-9-18)22(28)27(23(24)29)15-17-4-2-1-3-5-17/h1-13,21,30H,14-15H2/t21-,24-/m0/s1
InChIKeyPZUQVZVPCAVTDU-URXFXBBRSA-N
XLogP4.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(1R,3aS,6aS)-5-benzyl-1-(4-chlorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 27778667
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
(1S,3aS,6aS)-5-[(4-chlorophenyl)methyl]-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 98170872
(3S,4S)-1-benzyl-3,4-bis[(4-chlorophenyl)sulfanyl]pyrrolidine-2,5-dione
CID 98150978
(4R)-1-benzyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
CID 100953267
(5S,6R)-3-[(4-chlorophenyl)methyl]-6-phenyl-3-azatricyclo[5.2.2.01,5]undeca-8,10-diene-2,4-dione
CID 102061857
(3R,4R)-1-benzyl-4-(4-chlorophenyl)-6-phenyl-3-sulfanyl-3,4-dihydropyridin-2-one
CID 102406767
(5R)-5-benzyl-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126150111
(1R,3aR,6aR)-1-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 98128335
(1R,3aR,6aS)-5-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 27870835
3-[(4-chlorophenyl)methyl]-5,6-diphenyl-1,3-thiazinane-2,4-dione
CID 19838634
1-benzyl-3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxyindol-2-one
CID 2976468

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione (CID 135004670) is (3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione is O=C1[C@H](c2ccc(Cl)cc2)[C@@](O)(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione?
The InChIKey is PZUQVZVPCAVTDU-URXFXBBRSA-N. The full InChI is InChI=1S/C24H19Cl2NO3/c25-19-10-6-16(7-11-19)14-24(30)21(18-8-12-20(26)13-9-18)22(28)27(23(24)29)15-17-4-2-1-3-5-17/h1-13,21,30H,14-15H2/t21-,24-/m0/s1.
What are the key properties of (3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione?
(3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione has a molecular weight of 440.33 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-4-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 135004670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).