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

C25H21ClN2O4 — CID 110598314

IUPAC1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccccc2OC)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H21ClN2O4/c1-3-32-21-11-7-5-9-19(21)27-23-22(18-8-4-6-10-20(18)31-2)24(29)28(25(23)30)17-14-12-16(26)13-15-17/h4-15,27H,3H2,1-2H3
InChIKeyCCWDXXWCGKVFBF-UHFFFAOYSA-N
MW448.91 g/mol
LogP5.14
Rot. Bonds7

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

1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110598314) has the molecular formula C25H21ClN2O4 and a molecular weight of 448.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110598314
Molecular FormulaC25H21ClN2O4
Molecular Weight448.91 g/mol
Exact Mass448.12
IUPAC Name1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccccc2OC)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H21ClN2O4/c1-3-32-21-11-7-5-9-19(21)27-23-22(18-8-4-6-10-20(18)31-2)24(29)28(25(23)30)17-14-12-16(26)13-15-17/h4-15,27H,3H2,1-2H3
InChIKeyCCWDXXWCGKVFBF-UHFFFAOYSA-N
XLogP5.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.91
LogP ≤ 55.14
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-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione
CID 110599881
1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591818
1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598305
3-(3-chloro-4-methoxyanilino)-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598315
3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione
CID 110595505
1-(3-chloro-4-fluorophenyl)-3-(3-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598264
3-(4-ethoxyanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110598526
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110598292
3-(2-ethoxyanilino)-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110597870
1-(3,4-difluorophenyl)-3-(2-ethoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593825
3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 1186141
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595834

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110598314) is 1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is CCOc1ccccc1NC1=C(c2ccccc2OC)C(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is CCWDXXWCGKVFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4/c1-3-32-21-11-7-5-9-19(21)27-23-22(18-8-4-6-10-20(18)31-2)24(29)28(25(23)30)17-14-12-16(26)13-15-17/h4-15,27H,3H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 448.91 g/mol, XLogP of 5.14, 7 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-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110598314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).