6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione

C24H14F2N2O2 — CID 139827074

IUPAC6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccc(F)cc3c(-c3ccc(F)cc3)c2C(=O)N1Cc1ccncc1
InChIInChI=1S/C24H14F2N2O2/c25-17-4-1-15(2-5-17)21-19-12-18(26)6-3-16(19)11-20-22(21)24(30)28(23(20)29)13-14-7-9-27-10-8-14/h1-12H,13H2
InChIKeyXHEVTHVFLKVWBI-UHFFFAOYSA-N
MW400.38 g/mol
LogP4.98
Rot. Bonds3

About 6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione

6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione (PubChem CID 139827074) has the molecular formula C24H14F2N2O2 and a molecular weight of 400.38 g/mol. Its IUPAC name is 6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione
PubChem CID139827074
Molecular FormulaC24H14F2N2O2
Molecular Weight400.38 g/mol
Exact Mass400.10
IUPAC Name6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3ccc(F)cc3c(-c3ccc(F)cc3)c2C(=O)N1Cc1ccncc1
InChIInChI=1S/C24H14F2N2O2/c25-17-4-1-15(2-5-17)21-19-12-18(26)6-3-16(19)11-20-22(21)24(30)28(23(20)29)13-14-7-9-27-10-8-14/h1-12H,13H2
InChIKeyXHEVTHVFLKVWBI-UHFFFAOYSA-N
XLogP4.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethoxyphenyl)-7-(pyridin-4-ylmethyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione
CID 139827057
2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 20866740
5-(4-fluorophenyl)-7-(pyridin-4-ylmethyl)-6H-[1,3]benzodioxolo[6,5-f]isoindol-8-one;hydrochloride
CID 139827024
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110586188
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
4-(4-fluorophenyl)-6-methoxy-9-methyl-2-(pyridin-4-ylmethyl)-1H-benzo[f]isoindol-3-one
CID 139827003
3-(3,4-dimethylanilino)-4-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110586197
4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 67482283
2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione
CID 174552693
3-amino-6-fluoro-1-(pyridin-4-ylmethyl)-3H-indol-2-one
CID 43255112
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
3-(4-benzylpiperidin-1-yl)-4-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110543564

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione?
The IUPAC name of 6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione (CID 139827074) is 6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione?
The canonical SMILES for 6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione is O=C1c2cc3ccc(F)cc3c(-c3ccc(F)cc3)c2C(=O)N1Cc1ccncc1.
What is the InChIKey of 6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione?
The InChIKey is XHEVTHVFLKVWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2N2O2/c25-17-4-1-15(2-5-17)21-19-12-18(26)6-3-16(19)11-20-22(21)24(30)28(23(20)29)13-14-7-9-27-10-8-14/h1-12H,13H2.
What are the key properties of 6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione?
6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione has a molecular weight of 400.38 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-fluorophenyl)-2-(pyridin-4-ylmethyl)benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 139827074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).