1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione

C22H21BrN2O3 — CID 110560400

IUPAC1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccccc3)C(=O)N(c3cccc(Br)c3)C2=O)CC(C)O1
InChIInChI=1S/C22H21BrN2O3/c1-14-12-24(13-15(2)28-14)20-19(16-7-4-3-5-8-16)21(26)25(22(20)27)18-10-6-9-17(23)11-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyXMBYCJHDQMIWCO-UHFFFAOYSA-N
MW441.33 g/mol
LogP3.84
Rot. Bonds3

About 1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione

1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 110560400) has the molecular formula C22H21BrN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
PubChem CID110560400
Molecular FormulaC22H21BrN2O3
Molecular Weight441.33 g/mol
Exact Mass440.07
IUPAC Name1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccccc3)C(=O)N(c3cccc(Br)c3)C2=O)CC(C)O1
InChIInChI=1S/C22H21BrN2O3/c1-14-12-24(13-15(2)28-14)20-19(16-7-4-3-5-8-16)21(26)25(22(20)27)18-10-6-9-17(23)11-18/h3-11,14-15H,12-13H2,1-2H3
InChIKeyXMBYCJHDQMIWCO-UHFFFAOYSA-N
XLogP3.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 53.84
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-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561986
1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560399
1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561479
3-(2,6-dimethylmorpholin-4-yl)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562053
3-(2,6-dimethylmorpholin-4-yl)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561409
3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione
CID 110559456
1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560513
3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110547241
1-(3-bromophenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573310
3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110549816
1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561291

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (CID 110560400) is 1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione is CC1CN(C2=C(c3ccccc3)C(=O)N(c3cccc(Br)c3)C2=O)CC(C)O1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is XMBYCJHDQMIWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3/c1-14-12-24(13-15(2)28-14)20-19(16-7-4-3-5-8-16)21(26)25(22(20)27)18-10-6-9-17(23)11-18/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione has a molecular weight of 441.33 g/mol, XLogP of 3.84, 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-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110560400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).