1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione

C26H23ClN2O4 — CID 110598305

IUPAC1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C26H23ClN2O4/c1-3-15-33-20-8-6-7-18(16-20)28-24-23(21-9-4-5-10-22(21)32-2)25(30)29(26(24)31)19-13-11-17(27)12-14-19/h4-14,16,28H,3,15H2,1-2H3
InChIKeyCGRWZWMOSGVPAQ-UHFFFAOYSA-N
MW462.93 g/mol
LogP5.53
Rot. Bonds8

About 1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione

1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione (PubChem CID 110598305) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
PubChem CID110598305
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC Name1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
SMILESCCCOc1cccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C26H23ClN2O4/c1-3-15-33-20-8-6-7-18(16-20)28-24-23(21-9-4-5-10-22(21)32-2)25(30)29(26(24)31)19-13-11-17(27)12-14-19/h4-14,16,28H,3,15H2,1-2H3
InChIKeyCGRWZWMOSGVPAQ-UHFFFAOYSA-N
XLogP5.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-1-(4-methylphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598397
1-(3-chloro-4-fluorophenyl)-3-(3-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598264
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598614
3-(3-chloro-4-methoxyanilino)-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598315
3-(3,4-dimethoxyphenyl)-1-phenyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110597204
1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598314
3-(4-chlorophenyl)-1-(3-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110599632
1-(3-chloro-4-methoxyphenyl)-3-(3-propoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591445
3-(4-chlorophenyl)-1-(2-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110599728
1-(3,5-dimethylphenyl)-3-(3-methoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598014
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110592505
1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598272

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione (CID 110598305) is 1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione is CCCOc1cccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(Cl)cc3)C2=O)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione?
The InChIKey is CGRWZWMOSGVPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c1-3-15-33-20-8-6-7-18(16-20)28-24-23(21-9-4-5-10-22(21)32-2)25(30)29(26(24)31)19-13-11-17(27)12-14-19/h4-14,16,28H,3,15H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione?
1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione has a molecular weight of 462.93 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110598305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).