1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C22H21ClN2O3 — CID 110550235

IUPAC1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1C
InChIInChI=1S/C22H21ClN2O3/c1-14-6-7-16(12-15(14)2)19-20(24-8-10-28-11-9-24)22(27)25(21(19)26)18-5-3-4-17(23)13-18/h3-7,12-13H,8-11H2,1-2H3
InChIKeyVZKOELYSXQVJDC-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.57
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110550235) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110550235
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1C
InChIInChI=1S/C22H21ClN2O3/c1-14-6-7-16(12-15(14)2)19-20(24-8-10-28-11-9-24)22(27)25(21(19)26)18-5-3-4-17(23)13-18/h3-7,12-13H,8-11H2,1-2H3
InChIKeyVZKOELYSXQVJDC-UHFFFAOYSA-N
XLogP3.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.57
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-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110550566
3-(3,4-dimethylphenyl)-1-(3-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110548233
3-(4-chlorophenyl)-1-(3-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110570917
1-(4-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110545675
1-(3-bromophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560399
1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110545231
1-(2,5-dimethylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573778
1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110566840
1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110550918
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110571142
3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110570592

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 110550235) is 1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is Cc1ccc(C2=C(N3CCOCC3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1C.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is VZKOELYSXQVJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-14-6-7-16(12-15(14)2)19-20(24-8-10-28-11-9-24)22(27)25(21(19)26)18-5-3-4-17(23)13-18/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 396.87 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110550235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).