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

C23H16ClFN2O2 — CID 110599440

IUPAC3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C(Nc2ccccc2)=C(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C23H16ClFN2O2/c24-17-10-8-16(9-11-17)20-21(26-19-4-2-1-3-5-19)23(29)27(22(20)28)14-15-6-12-18(25)13-7-15/h1-13,26H,14H2
InChIKeyXFQRSGZSLAUNFQ-UHFFFAOYSA-N
MW406.84 g/mol
LogP4.87
Rot. Bonds5

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

3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione (PubChem CID 110599440) has the molecular formula C23H16ClFN2O2 and a molecular weight of 406.84 g/mol. Its IUPAC name is 3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
PubChem CID110599440
Molecular FormulaC23H16ClFN2O2
Molecular Weight406.84 g/mol
Exact Mass406.09
IUPAC Name3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C(Nc2ccccc2)=C(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C23H16ClFN2O2/c24-17-10-8-16(9-11-17)20-21(26-19-4-2-1-3-5-19)23(29)27(22(20)28)14-15-6-12-18(25)13-7-15/h1-13,26H,14H2
InChIKeyXFQRSGZSLAUNFQ-UHFFFAOYSA-N
XLogP4.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.84
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425
3-(4-chlorophenyl)-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599049
1-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110586021
3-[4-(dimethylamino)anilino]-1-[(4-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594695
3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110599430
3-anilino-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
CID 110599287
3-anilino-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586261
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110586188
1-[(4-fluorophenyl)methyl]-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594690
1-[(4-chlorophenyl)methyl]-3-(4-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594259
1-benzyl-3-(4-chlorophenyl)-4-(3-ethoxyanilino)pyrrole-2,5-dione
CID 110599210
3-(3-ethoxyanilino)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586406

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione (CID 110599440) is 3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione is O=C1C(Nc2ccccc2)=C(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione?
The InChIKey is XFQRSGZSLAUNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O2/c24-17-10-8-16(9-11-17)20-21(26-19-4-2-1-3-5-19)23(29)27(22(20)28)14-15-6-12-18(25)13-7-15/h1-13,26H,14H2.
What are the key properties of 3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione?
3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione has a molecular weight of 406.84 g/mol, XLogP of 4.87, 5 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-[(4-fluorophenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 110599440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).