1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione

C20H15Br2N3O5 — CID 3777582

IUPAC1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione
SMILESO=C1CC(N(O)C2CC(=O)N(c3ccc(Br)cc3)C2=O)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C20H15Br2N3O5/c21-11-1-5-13(6-2-11)23-17(26)9-15(19(23)28)25(30)16-10-18(27)24(20(16)29)14-7-3-12(22)4-8-14/h1-8,15-16,30H,9-10H2
InChIKeyPBHHHOHGJFUHIU-UHFFFAOYSA-N
MW537.16 g/mol
LogP2.87
Rot. Bonds4

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

1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione (PubChem CID 3777582) has the molecular formula C20H15Br2N3O5 and a molecular weight of 537.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione
PubChem CID3777582
Molecular FormulaC20H15Br2N3O5
Molecular Weight537.16 g/mol
Exact Mass534.94
IUPAC Name1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione
SMILESO=C1CC(N(O)C2CC(=O)N(c3ccc(Br)cc3)C2=O)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C20H15Br2N3O5/c21-11-1-5-13(6-2-11)23-17(26)9-15(19(23)28)25(30)16-10-18(27)24(20(16)29)14-7-3-12(22)4-8-14/h1-8,15-16,30H,9-10H2
InChIKeyPBHHHOHGJFUHIU-UHFFFAOYSA-N
XLogP2.87
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.16
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylacetamide
CID 23942980
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylcyclopropanecarboxamide
CID 23859194
(3S)-3-[benzyl(methyl)amino]-1-(4-bromophenyl)pyrrolidine-2,5-dione
CID 1098209
(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidine-3-carboxylic acid
CID 46206658
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butylcyclohexanecarboxamide
CID 23830977
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide
CID 23915156
(3R)-3-(azocan-1-ium-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-dione
CID 6960770
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-4-methylbenzamide
CID 23944596
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexyl-4-methylbenzamide
CID 23832421
4-bromo-N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23914944
(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 1022325
N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide
CID 1258880

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione (CID 3777582) is 1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione is O=C1CC(N(O)C2CC(=O)N(c3ccc(Br)cc3)C2=O)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione?
The InChIKey is PBHHHOHGJFUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2N3O5/c21-11-1-5-13(6-2-11)23-17(26)9-15(19(23)28)25(30)16-10-18(27)24(20(16)29)14-7-3-12(22)4-8-14/h1-8,15-16,30H,9-10H2.
What are the key properties of 1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione?
1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione has a molecular weight of 537.16 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 3777582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).