1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C21H19BrN2O3 — CID 110573310

IUPAC1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(c3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C21H19BrN2O3/c1-14-5-7-15(8-6-14)18-19(23-9-11-27-12-10-23)21(26)24(20(18)25)17-4-2-3-16(22)13-17/h2-8,13H,9-12H2,1H3
InChIKeyGFEPQCJFSVKTRF-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.37
Rot. Bonds3

About 1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110573310) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110573310
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(c3cccc(Br)c3)C2=O)cc1
InChIInChI=1S/C21H19BrN2O3/c1-14-5-7-15(8-6-14)18-19(23-9-11-27-12-10-23)21(26)24(20(18)25)17-4-2-3-16(22)13-17/h2-8,13H,9-12H2,1H3
InChIKeyGFEPQCJFSVKTRF-UHFFFAOYSA-N
XLogP3.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.37
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

1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560399
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110550235
1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110544608
1-(3-methylphenyl)-3-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110574057
1-(2,5-dimethylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573778
1-(3-bromophenyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573315
3-(4-ethoxyphenyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110547822
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110558141
1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560400
1-[3-(dimethylamino)phenyl]-3-(4-methylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110574629
1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573750
3-(4-methylphenyl)-4-morpholin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110571547

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 110573310) is 1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is Cc1ccc(C2=C(N3CCOCC3)C(=O)N(c3cccc(Br)c3)C2=O)cc1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is GFEPQCJFSVKTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-14-5-7-15(8-6-14)18-19(23-9-11-27-12-10-23)21(26)24(20(18)25)17-4-2-3-16(22)13-17/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 427.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110573310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).