5,6-bis(4-fluoroanilino)isoindole-1,3-dione

C20H13F2N3O2 — CID 6711154

IUPAC5,6-bis(4-fluoroanilino)isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Nc3ccc(F)cc3)c(Nc3ccc(F)cc3)cc21
InChIInChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
InChIKeyRONQPWQYDRPRGG-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.34
Rot. Bonds4

About 5,6-bis(4-fluoroanilino)isoindole-1,3-dione

5,6-bis(4-fluoroanilino)isoindole-1,3-dione (PubChem CID 6711154) has the molecular formula C20H13F2N3O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 5,6-bis(4-fluoroanilino)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-bis(4-fluoroanilino)isoindole-1,3-dione
PubChem CID6711154
Molecular FormulaC20H13F2N3O2
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC Name5,6-bis(4-fluoroanilino)isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(Nc3ccc(F)cc3)c(Nc3ccc(F)cc3)cc21
InChIInChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
InChIKeyRONQPWQYDRPRGG-UHFFFAOYSA-N
XLogP4.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,6-bis(4-fluoroanilino)isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-fluoroanilino)isoindole-1,3-dione?
The IUPAC name of 5,6-bis(4-fluoroanilino)isoindole-1,3-dione (CID 6711154) is 5,6-bis(4-fluoroanilino)isoindole-1,3-dione.
What is the SMILES notation for 5,6-bis(4-fluoroanilino)isoindole-1,3-dione?
The canonical SMILES for 5,6-bis(4-fluoroanilino)isoindole-1,3-dione is O=C1NC(=O)c2cc(Nc3ccc(F)cc3)c(Nc3ccc(F)cc3)cc21.
What is the InChIKey of 5,6-bis(4-fluoroanilino)isoindole-1,3-dione?
The InChIKey is RONQPWQYDRPRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27).
What are the key properties of 5,6-bis(4-fluoroanilino)isoindole-1,3-dione?
5,6-bis(4-fluoroanilino)isoindole-1,3-dione has a molecular weight of 365.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-fluoroanilino)isoindole-1,3-dione is sourced from PubChem (CID 6711154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).