1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C23H23ClN2O4 — CID 110547897

IUPAC1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1
InChIInChI=1S/C23H23ClN2O4/c1-3-30-18-7-4-16(5-8-18)20-21(25-10-12-29-13-11-25)23(28)26(22(20)27)19-9-6-17(24)14-15(19)2/h4-9,14H,3,10-13H2,1-2H3
InChIKeyZZRVOGMHOYCNQY-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110547897) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110547897
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Name1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1
InChIInChI=1S/C23H23ClN2O4/c1-3-30-18-7-4-16(5-8-18)20-21(25-10-12-29-13-11-25)23(28)26(22(20)27)19-9-6-17(24)14-15(19)2/h4-9,14H,3,10-13H2,1-2H3
InChIKeyZZRVOGMHOYCNQY-UHFFFAOYSA-N
XLogP3.66
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.66
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

1-(4-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110545675
1-(2,5-dimethylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110547538
3-(4-ethoxyphenyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110547822
1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110571179
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110571142
1-(4-chloro-2-methylphenyl)-3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545677
1-(2,4-difluorophenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110548085
3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546616
3-(4-methoxyphenyl)-1-(2-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110558108
1-(4-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110545678
1-(2,4-difluorophenyl)-3-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110548089
1-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110547933

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 110547897) is 1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is CCOc1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(Cl)cc3C)C2=O)cc1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is ZZRVOGMHOYCNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-3-30-18-7-4-16(5-8-18)20-21(25-10-12-29-13-11-25)23(28)26(22(20)27)19-9-6-17(24)14-15(19)2/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 426.90 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110547897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).