1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione

C25H27ClN2O4 — CID 110565347

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CC(C)OC(C)C2)C(=O)N(CCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H27ClN2O4/c1-16-14-27(15-17(2)32-16)23-22(20-6-4-5-7-21(20)31-3)24(29)28(25(23)30)13-12-18-8-10-19(26)11-9-18/h4-11,16-17H,12-15H2,1-3H3
InChIKeyBHCZPBYMFXIFRB-UHFFFAOYSA-N
MW454.95 g/mol
LogP3.78
Rot. Bonds6

About 1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione

1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110565347) has the molecular formula C25H27ClN2O4 and a molecular weight of 454.95 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110565347
Molecular FormulaC25H27ClN2O4
Molecular Weight454.95 g/mol
Exact Mass454.17
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CC(C)OC(C)C2)C(=O)N(CCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H27ClN2O4/c1-16-14-27(15-17(2)32-16)23-22(20-6-4-5-7-21(20)31-3)24(29)28(25(23)30)13-12-18-8-10-19(26)11-9-18/h4-11,16-17H,12-15H2,1-3H3
InChIKeyBHCZPBYMFXIFRB-UHFFFAOYSA-N
XLogP3.78
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.95
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)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

1-[2-(4-chlorophenyl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565344
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565346
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110543204
1-butyl-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565793
1-[(4-chlorophenyl)methyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565474
3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110567672
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565364
1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569559
3-(2,6-dimethylmorpholin-4-yl)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110559861
3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110567363
3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione
CID 110565755
1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565797

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110565347) is 1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccccc1C1=C(N2CC(C)OC(C)C2)C(=O)N(CCc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is BHCZPBYMFXIFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4/c1-16-14-27(15-17(2)32-16)23-22(20-6-4-5-7-21(20)31-3)24(29)28(25(23)30)13-12-18-8-10-19(26)11-9-18/h4-11,16-17H,12-15H2,1-3H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 454.95 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110565347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).