1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione

C20H25ClN2O3 — CID 110569559

IUPAC1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
SMILESCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C20H25ClN2O3/c1-4-5-10-23-19(24)17(15-6-8-16(21)9-7-15)18(20(23)25)22-11-13(2)26-14(3)12-22/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyJZULNBBDPZFYDN-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.33
Rot. Bonds5

About 1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione

1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione (PubChem CID 110569559) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
PubChem CID110569559
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
SMILESCCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C20H25ClN2O3/c1-4-5-10-23-19(24)17(15-6-8-16(21)9-7-15)18(20(23)25)22-11-13(2)26-14(3)12-22/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyJZULNBBDPZFYDN-UHFFFAOYSA-N
XLogP3.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-pentylpyrrole-2,5-dione
CID 110543640
3-(2,6-dimethylmorpholin-4-yl)-4-(4-nitrophenyl)-1-pentylpyrrole-2,5-dione
CID 110541237
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569260
1-(3-butoxypropyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577119
3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110569396
1-(3-butoxypropyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110570148
3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110573107
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110543204
3-(2,6-dimethylmorpholin-4-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575199
1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110558966
3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione
CID 110559456
3-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxyethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575276

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione?
The IUPAC name of 1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione (CID 110569559) is 1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione is CCCCN1C(=O)C(c2ccc(Cl)cc2)=C(N2CC(C)OC(C)C2)C1=O.
What is the InChIKey of 1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione?
The InChIKey is JZULNBBDPZFYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-4-5-10-23-19(24)17(15-6-8-16(21)9-7-15)18(20(23)25)22-11-13(2)26-14(3)12-22/h6-9,13-14H,4-5,10-12H2,1-3H3.
What are the key properties of 1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione?
1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione has a molecular weight of 376.88 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110569559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).