2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione

C24H18FNO2 — CID 54254618

IUPAC2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione
SMILESCC(=CCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C24H18FNO2/c1-16(14-15-26-23(27)20-7-2-3-8-21(20)24(26)28)17-10-12-18(13-11-17)19-6-4-5-9-22(19)25/h2-14H,15H2,1H3
InChIKeyQZDBMGCAAMNVQO-UHFFFAOYSA-N
MW371.41 g/mol
LogP5.19
Rot. Bonds4

About 2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione

2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione (PubChem CID 54254618) has the molecular formula C24H18FNO2 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione
PubChem CID54254618
Molecular FormulaC24H18FNO2
Molecular Weight371.41 g/mol
Exact Mass371.13
IUPAC Name2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione
SMILESCC(=CCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C24H18FNO2/c1-16(14-15-26-23(27)20-7-2-3-8-21(20)24(26)28)17-10-12-18(13-11-17)19-6-4-5-9-22(19)25/h2-14H,15H2,1H3
InChIKeyQZDBMGCAAMNVQO-UHFFFAOYSA-N
XLogP5.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione
CID 54297598
2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione
CID 70596495
(E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid
CID 82544074
1,4-bis(2-fluorophenyl)benzene
CID 58121760
(Z)-4-(1,3-dioxoisoindol-2-yl)-2-fluorobut-2-enoic acid
CID 121008646
3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol
CID 54113945
2-[(2Z)-3,7-dimethylocta-2,6-dienyl]isoindole-1,3-dione
CID 13123287
1-[4-(2-fluorophenyl)phenyl]-2-hydroxyiminopropan-1-one
CID 6710921
2-[4-(methylamino)but-2-enyl]isoindole-1,3-dione
CID 123904832
2-[4,4-bis(4-fluorophenyl)but-3-enyl]isoindole-1,3-dione
CID 110168474
(E)-4-[4-(2-fluorophenyl)phenyl]-4-oxobut-2-enoic acid
CID 21437942
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione
CID 23047146

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione (CID 54254618) is 2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione is CC(=CCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione?
The InChIKey is QZDBMGCAAMNVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO2/c1-16(14-15-26-23(27)20-7-2-3-8-21(20)24(26)28)17-10-12-18(13-11-17)19-6-4-5-9-22(19)25/h2-14H,15H2,1H3.
What are the key properties of 2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione?
2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione has a molecular weight of 371.41 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 54254618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).