(3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione

C24H22Cl4N4O4+2 — CID 6982522

IUPAC(3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H]([NH+]2CC[NH+]([C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H20Cl4N4O4/c25-13-5-14(26)8-17(7-13)31-21(33)11-19(23(31)35)29-1-2-30(4-3-29)20-12-22(34)32(24(20)36)18-9-15(27)6-16(28)10-18/h5-10,19-20H,1-4,11-12H2/p+2/t19-,20+
InChIKeyJUHLTSMFMMAKOI-BGYRXZFFSA-P
MW572.28 g/mol
LogP1.05
Rot. Bonds4

About (3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione

(3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione (PubChem CID 6982522) has the molecular formula C24H22Cl4N4O4+2 and a molecular weight of 572.28 g/mol. Its IUPAC name is (3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
PubChem CID6982522
Molecular FormulaC24H22Cl4N4O4+2
Molecular Weight572.28 g/mol
Exact Mass570.04
IUPAC Name(3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H]([NH+]2CC[NH+]([C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H20Cl4N4O4/c25-13-5-14(26)8-17(7-13)31-21(33)11-19(23(31)35)29-1-2-30(4-3-29)20-12-22(34)32(24(20)36)18-9-15(27)6-16(28)10-18/h5-10,19-20H,1-4,11-12H2/p+2/t19-,20+
InChIKeyJUHLTSMFMMAKOI-BGYRXZFFSA-P
XLogP1.05
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(3,5-dichlorophenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 6920958
1-(3-chlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 4743399
(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-oxopiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 7331357
(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 6959849
(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6925308
(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 6922502
(3S)-1-(4-chlorophenyl)-3-(4-cyclohexylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione
CID 6979642
1-(4-chlorophenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione
CID 4200118
(3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6944442
(3R)-1-(5-chloro-2-methylphenyl)-3-[4-[(3R)-1-(5-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 9499051
(3S)-1-(3-methylphenyl)-3-[4-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6962996
1-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate
CID 2059464

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione (CID 6982522) is (3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione is O=C1C[C@@H]([NH+]2CC[NH+]([C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione?
The InChIKey is JUHLTSMFMMAKOI-BGYRXZFFSA-P. The full InChI is InChI=1S/C24H20Cl4N4O4/c25-13-5-14(26)8-17(7-13)31-21(33)11-19(23(31)35)29-1-2-30(4-3-29)20-12-22(34)32(24(20)36)18-9-15(27)6-16(28)10-18/h5-10,19-20H,1-4,11-12H2/p+2/t19-,20+.
What are the key properties of (3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione has a molecular weight of 572.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6982522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).