(3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione

C16H18Br2N2O3 — CID 1202052

IUPAC(3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
SMILESC[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@H](C)O1
InChIInChI=1S/C16H18Br2N2O3/c1-9-7-19(8-10(2)23-9)14-6-15(21)20(16(14)22)13-4-3-11(17)5-12(13)18/h3-5,9-10,14H,6-8H2,1-2H3/t9-,10+,14-/m1/s1
InChIKeyXUFWPLOWDHKXCA-ISTVAULSSA-N
MW446.14 g/mol
LogP2.95
Rot. Bonds2

About (3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione

(3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione (PubChem CID 1202052) has the molecular formula C16H18Br2N2O3 and a molecular weight of 446.14 g/mol. Its IUPAC name is (3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
PubChem CID1202052
Molecular FormulaC16H18Br2N2O3
Molecular Weight446.14 g/mol
Exact Mass443.97
IUPAC Name(3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
SMILESC[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@H](C)O1
InChIInChI=1S/C16H18Br2N2O3/c1-9-7-19(8-10(2)23-9)14-6-15(21)20(16(14)22)13-4-3-11(17)5-12(13)18/h3-5,9-10,14H,6-8H2,1-2H3/t9-,10+,14-/m1/s1
InChIKeyXUFWPLOWDHKXCA-ISTVAULSSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.14
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 8008090
(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 7784115
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 3139865
ethyl 4-[(3S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1048448
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
(3S)-3-(4-benzylpiperazin-1-yl)-1-(2-bromo-4-methylphenyl)pyrrolidine-2,5-dione
CID 51621006
(3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 99129593
(3S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 100911154
3-(2,6-dimethylmorpholin-4-yl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 2927932
(3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 1034992
ethyl 1-[1-(2,4-dibromophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate
CID 3323019

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione (CID 1202052) is (3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione is C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@H](C)O1.
What is the InChIKey of (3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione?
The InChIKey is XUFWPLOWDHKXCA-ISTVAULSSA-N. The full InChI is InChI=1S/C16H18Br2N2O3/c1-9-7-19(8-10(2)23-9)14-6-15(21)20(16(14)22)13-4-3-11(17)5-12(13)18/h3-5,9-10,14H,6-8H2,1-2H3/t9-,10+,14-/m1/s1.
What are the key properties of (3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione?
(3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione has a molecular weight of 446.14 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 1202052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).