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

C20H17BrN2O3 — CID 110560399

IUPAC1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1c1cccc(Br)c1
InChIInChI=1S/C20H17BrN2O3/c21-15-7-4-8-16(13-15)23-19(24)17(14-5-2-1-3-6-14)18(20(23)25)22-9-11-26-12-10-22/h1-8,13H,9-12H2
InChIKeyCBHADKPOCHTPPJ-UHFFFAOYSA-N
MW413.27 g/mol
LogP3.07
Rot. Bonds3

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

1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (PubChem CID 110560399) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
PubChem CID110560399
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1c1cccc(Br)c1
InChIInChI=1S/C20H17BrN2O3/c21-15-7-4-8-16(13-15)23-19(24)17(14-5-2-1-3-6-14)18(20(23)25)22-9-11-26-12-10-22/h1-8,13H,9-12H2
InChIKeyCBHADKPOCHTPPJ-UHFFFAOYSA-N
XLogP3.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 53.07
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-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573310
1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560400
1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560474
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560423
1-(2-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560663
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110550235
3-morpholin-4-yl-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577483
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110558141
1-(3-ethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558487
3-(4-chlorophenyl)-1-(3-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110570917
3-(2-methoxyphenyl)-1-(3-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565222

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (CID 110560399) is 1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The InChIKey is CBHADKPOCHTPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c21-15-7-4-8-16(13-15)23-19(24)17(14-5-2-1-3-6-14)18(20(23)25)22-9-11-26-12-10-22/h1-8,13H,9-12H2.
What are the key properties of 1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione has a molecular weight of 413.27 g/mol, XLogP of 3.07, 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-morpholin-4-yl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110560399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).