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

C24H18ClFN2O2 — CID 110599051

IUPAC3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESO=C1C(Nc2cccc(F)c2)=C(c2ccc(Cl)cc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C24H18ClFN2O2/c25-18-11-9-17(10-12-18)21-22(27-20-8-4-7-19(26)15-20)24(30)28(23(21)29)14-13-16-5-2-1-3-6-16/h1-12,15,27H,13-14H2
InChIKeyHDYWUGOFBHVIIB-UHFFFAOYSA-N
MW420.87 g/mol
LogP4.91
Rot. Bonds6

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

3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 110599051) has the molecular formula C24H18ClFN2O2 and a molecular weight of 420.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID110599051
Molecular FormulaC24H18ClFN2O2
Molecular Weight420.87 g/mol
Exact Mass420.10
IUPAC Name3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESO=C1C(Nc2cccc(F)c2)=C(c2ccc(Cl)cc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C24H18ClFN2O2/c25-18-11-9-17(10-12-18)21-22(27-20-8-4-7-19(26)15-20)24(30)28(23(21)29)14-13-16-5-2-1-3-6-16/h1-12,15,27H,13-14H2
InChIKeyHDYWUGOFBHVIIB-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599049
3-chloro-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 734947
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110599581
3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110594191
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110599596
3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110599440
3-(3-fluoroanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594588
3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110594168
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110585947
3-(5-chloro-2-methylanilino)-1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110585934
1-benzyl-3-(3,4-dimethoxyphenyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110596880
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110599618

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione (CID 110599051) is 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione is O=C1C(Nc2cccc(F)c2)=C(c2ccc(Cl)cc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is HDYWUGOFBHVIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2/c25-18-11-9-17(10-12-18)21-22(27-20-8-4-7-19(26)15-20)24(30)28(23(21)29)14-13-16-5-2-1-3-6-16/h1-12,15,27H,13-14H2.
What are the key properties of 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 420.87 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110599051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).