1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione

C25H20ClFN2O3 — CID 110598272

IUPAC1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C25H20ClFN2O3/c1-3-15-8-10-16(11-9-15)28-23-22(18-6-4-5-7-21(18)32-2)24(30)29(25(23)31)17-12-13-20(27)19(26)14-17/h4-14,28H,3H2,1-2H3
InChIKeyMQPCFCUIMGCPCK-UHFFFAOYSA-N
MW450.90 g/mol
LogP5.45
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione

1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110598272) has the molecular formula C25H20ClFN2O3 and a molecular weight of 450.90 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110598272
Molecular FormulaC25H20ClFN2O3
Molecular Weight450.90 g/mol
Exact Mass450.11
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C25H20ClFN2O3/c1-3-15-8-10-16(11-9-15)28-23-22(18-6-4-5-7-21(18)32-2)24(30)29(25(23)31)17-12-13-20(27)19(26)14-17/h4-14,28H,3H2,1-2H3
InChIKeyMQPCFCUIMGCPCK-UHFFFAOYSA-N
XLogP5.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.90
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(3-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598264
1-(2,5-difluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598647
1-(3,4-difluorophenyl)-3-(4-fluoroanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598600
1-(3-chloro-4-methoxyphenyl)-3-(4-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586770
3-(3-chloro-4-methoxyanilino)-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598315
1-(3-chloro-4-methylphenyl)-3-(3,4-dimethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598454
1-(3-chloro-4-fluorophenyl)-3-ethylsulfanyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567109
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110598289
1-(2,4-dimethylphenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598509
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110598517
1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598305
1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598314

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110598272) is 1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is CCc1ccc(NC2=C(c3ccccc3OC)C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is MQPCFCUIMGCPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O3/c1-3-15-8-10-16(11-9-15)28-23-22(18-6-4-5-7-21(18)32-2)24(30)29(25(23)31)17-12-13-20(27)19(26)14-17/h4-14,28H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 450.90 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(4-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110598272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).