1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione

C27H23F2N3O2 — CID 110586792

IUPAC1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
SMILESO=C1C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccc(F)cc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C27H23F2N3O2/c28-19-10-8-18(9-11-19)24-25(27(34)32(26(24)33)23-7-3-2-6-22(23)29)30-20-12-14-21(15-13-20)31-16-4-1-5-17-31/h2-3,6-15,30H,1,4-5,16-17H2
InChIKeyJMHURVAFFUPMEF-UHFFFAOYSA-N
MW459.50 g/mol
LogP5.35
Rot. Bonds5

About 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione

1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione (PubChem CID 110586792) has the molecular formula C27H23F2N3O2 and a molecular weight of 459.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
PubChem CID110586792
Molecular FormulaC27H23F2N3O2
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
SMILESO=C1C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccc(F)cc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C27H23F2N3O2/c28-19-10-8-18(9-11-19)24-25(27(34)32(26(24)33)23-7-3-2-6-22(23)29)30-20-12-14-21(15-13-20)31-16-4-1-5-17-31/h2-3,6-15,30H,1,4-5,16-17H2
InChIKeyJMHURVAFFUPMEF-UHFFFAOYSA-N
XLogP5.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)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-(4-fluorophenyl)-1-(2-methylphenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 110587443
1-(2-chlorophenyl)-3-phenyl-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 110596216
1-(2-methoxyphenyl)-3-phenyl-4-(4-pyrrolidin-1-ylanilino)pyrrole-2,5-dione
CID 110595827
1-(4-chloro-2-methylphenyl)-3-phenyl-4-(4-pyrrolidin-1-ylanilino)pyrrole-2,5-dione
CID 110595893
1-(3-chloro-4-fluorophenyl)-3-phenyl-4-(4-pyrrolidin-1-ylanilino)pyrrole-2,5-dione
CID 110595469
3-anilino-4-(4-chlorophenyl)-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599750
1-(2-methylphenyl)-3-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylanilino)pyrrole-2,5-dione
CID 110585754
3-(3,5-dimethoxyanilino)-1-(2-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586789
3-(4-chlorophenyl)-4-[4-(dimethylamino)anilino]-1-(2-fluorophenyl)pyrrole-2,5-dione
CID 110599734
3-(3-fluoroanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595208
3-(4-fluorophenyl)-1-(3-methoxypropyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 110586356
3-(2,5-dimethylanilino)-1-(2-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586809

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione (CID 110586792) is 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione is O=C1C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccc(F)cc2)C(=O)N1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione?
The InChIKey is JMHURVAFFUPMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N3O2/c28-19-10-8-18(9-11-19)24-25(27(34)32(26(24)33)23-7-3-2-6-22(23)29)30-20-12-14-21(15-13-20)31-16-4-1-5-17-31/h2-3,6-15,30H,1,4-5,16-17H2.
What are the key properties of 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione?
1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione has a molecular weight of 459.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-fluorophenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110586792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).