1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione

C23H22ClFN2O4 — CID 110545624

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)C(c2ccc(F)cc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C23H22ClFN2O4/c1-13-11-26(12-14(2)31-13)21-20(15-4-7-17(25)8-5-15)22(28)27(23(21)29)18-10-16(24)6-9-19(18)30-3/h4-10,13-14H,11-12H2,1-3H3
InChIKeyOKXAMKPDGRYUQF-UHFFFAOYSA-N
MW444.89 g/mol
LogP3.88
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione

1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110545624) has the molecular formula C23H22ClFN2O4 and a molecular weight of 444.89 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110545624
Molecular FormulaC23H22ClFN2O4
Molecular Weight444.89 g/mol
Exact Mass444.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)C(c2ccc(F)cc2)=C(N2CC(C)OC(C)C2)C1=O
InChIInChI=1S/C23H22ClFN2O4/c1-13-11-26(12-14(2)31-13)21-20(15-4-7-17(25)8-5-15)22(28)27(23(21)29)18-10-16(24)6-9-19(18)30-3/h4-10,13-14H,11-12H2,1-3H3
InChIKeyOKXAMKPDGRYUQF-UHFFFAOYSA-N
XLogP3.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.89
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110545592
1-(2,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557364
1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110542933
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110550636
3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110571142
3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110547916
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110571137
1-(5-chloro-2-methoxyphenyl)-3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110574340
1-(2,5-difluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110548110
3-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110545726
1-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573879

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110545624) is 1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione is COc1ccc(Cl)cc1N1C(=O)C(c2ccc(F)cc2)=C(N2CC(C)OC(C)C2)C1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is OKXAMKPDGRYUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O4/c1-13-11-26(12-14(2)31-13)21-20(15-4-7-17(25)8-5-15)22(28)27(23(21)29)18-10-16(24)6-9-19(18)30-3/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 444.89 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110545624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).