1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione

C24H18ClFN2O3 — CID 110588490

IUPAC1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C24H18ClFN2O3/c1-2-31-18-12-10-15(11-13-18)21-22(27-17-7-5-6-16(26)14-17)24(30)28(23(21)29)20-9-4-3-8-19(20)25/h3-14,27H,2H2,1H3
InChIKeyHLAQJKHKIOSRNI-UHFFFAOYSA-N
MW436.87 g/mol
LogP5.27
Rot. Bonds6

About 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione

1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione (PubChem CID 110588490) has the molecular formula C24H18ClFN2O3 and a molecular weight of 436.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
PubChem CID110588490
Molecular FormulaC24H18ClFN2O3
Molecular Weight436.87 g/mol
Exact Mass436.10
IUPAC Name1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C24H18ClFN2O3/c1-2-31-18-12-10-15(11-13-18)21-22(27-17-7-5-6-16(26)14-17)24(30)28(23(21)29)20-9-4-3-8-19(20)25/h3-14,27H,2H2,1H3
InChIKeyHLAQJKHKIOSRNI-UHFFFAOYSA-N
XLogP5.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.87
LogP ≤ 55.27
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-(2-chlorophenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587573
1-(2-chlorophenyl)-3-(3,4-dimethylanilino)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110588495
1-(2,4-difluorophenyl)-3-(4-ethoxyphenyl)-4-(3-methoxyanilino)pyrrole-2,5-dione
CID 110588453
1-(3-chloro-2-methylphenyl)-3-(3-fluoroanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586729
3-(3-chloro-2-methylanilino)-4-(4-ethoxyphenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110588162
3-(3-fluoroanilino)-4-(4-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110593607
3-(3-ethoxyanilino)-1-(4-ethoxyphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586919
3-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110589456
3-(4-ethoxyanilino)-1-(3-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586669
3-(3-ethoxyanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595199
3-anilino-4-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110588436
3-anilino-1-(3-chlorophenyl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110588311

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione (CID 110588490) is 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione is CCOc1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(c3ccccc3Cl)C2=O)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione?
The InChIKey is HLAQJKHKIOSRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O3/c1-2-31-18-12-10-15(11-13-18)21-22(27-17-7-5-6-16(26)14-17)24(30)28(23(21)29)20-9-4-3-8-19(20)25/h3-14,27H,2H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione?
1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione has a molecular weight of 436.87 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110588490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).