3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione

C22H14ClFN2O2 — CID 110599750

IUPAC3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C(Nc2ccccc2)=C(c2ccc(Cl)cc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C22H14ClFN2O2/c23-15-12-10-14(11-13-15)19-20(25-16-6-2-1-3-7-16)22(28)26(21(19)27)18-9-5-4-8-17(18)24/h1-13,25H
InChIKeyVDDOCKRYZUPCKL-UHFFFAOYSA-N
MW392.82 g/mol
LogP4.88
Rot. Bonds4

About 3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione

3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110599750) has the molecular formula C22H14ClFN2O2 and a molecular weight of 392.82 g/mol. Its IUPAC name is 3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
PubChem CID110599750
Molecular FormulaC22H14ClFN2O2
Molecular Weight392.82 g/mol
Exact Mass392.07
IUPAC Name3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C(Nc2ccccc2)=C(c2ccc(Cl)cc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C22H14ClFN2O2/c23-15-12-10-14(11-13-15)19-20(25-16-6-2-1-3-7-16)22(28)26(21(19)27)18-9-5-4-8-17(18)24/h1-13,25H
InChIKeyVDDOCKRYZUPCKL-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 54.88
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-(dimethylamino)anilino]-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599734
3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599736
3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595208
3-(4-chlorophenyl)-1-(2-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110599728
3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595207
3-(3,5-dimethoxyanilino)-1-(2-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586789
1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 110586792
3-(4-chlorophenyl)-4-(3,5-dimethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110600121
4-[3-anilino-4-(4-chlorophenyl)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110600112
3-(3-chloro-4-methoxyanilino)-1-(2-fluorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593322
3-(3-ethoxyanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595199
3-anilino-1-(2-chlorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585829

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione (CID 110599750) is 3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione is O=C1C(Nc2ccccc2)=C(c2ccc(Cl)cc2)C(=O)N1c1ccccc1F.
What is the InChIKey of 3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is VDDOCKRYZUPCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O2/c23-15-12-10-14(11-13-15)19-20(25-16-6-2-1-3-7-16)22(28)26(21(19)27)18-9-5-4-8-17(18)24/h1-13,25H.
What are the key properties of 3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione?
3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 392.82 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110599750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).