1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione

C24H22Cl2N4O4 — CID 3091910

IUPAC1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(C3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C24H22Cl2N4O4/c25-15-3-1-5-17(11-15)29-21(31)13-19(23(29)33)27-7-9-28(10-8-27)20-14-22(32)30(24(20)34)18-6-2-4-16(26)12-18/h1-6,11-12,19-20H,7-10,13-14H2
InChIKeyUNKUQGPJSAFXHQ-UHFFFAOYSA-N
MW501.37 g/mol
LogP2.58
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 3091910) has the molecular formula C24H22Cl2N4O4 and a molecular weight of 501.37 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID3091910
Molecular FormulaC24H22Cl2N4O4
Molecular Weight501.37 g/mol
Exact Mass500.10
IUPAC Name1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(C3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C24H22Cl2N4O4/c25-15-3-1-5-17(11-15)29-21(31)13-19(23(29)33)27-7-9-28(10-8-27)20-14-22(32)30(24(20)34)18-6-2-4-16(26)12-18/h1-6,11-12,19-20H,7-10,13-14H2
InChIKeyUNKUQGPJSAFXHQ-UHFFFAOYSA-N
XLogP2.58
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3-chlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 793181
1-(3-chlorophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2827716
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586
(3R)-1-(3-chlorophenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1255850
1-(3-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3406382
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 1238179
1-(3-chlorophenyl)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2949652
1-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2059465
(3R)-3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 7106893
(3S)-1-(4-bromophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1041111
(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1288254
(3R)-1-(3-chlorophenyl)-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261342

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 3091910) is 1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCN(C3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is UNKUQGPJSAFXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O4/c25-15-3-1-5-17(11-15)29-21(31)13-19(23(29)33)27-7-9-28(10-8-27)20-14-22(32)30(24(20)34)18-6-2-4-16(26)12-18/h1-6,11-12,19-20H,7-10,13-14H2.
What are the key properties of 1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 501.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3091910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).