2-[(4-fluorophenyl)methyl]isoindole-1,3-dione

C15H10FNO2 — CID 2774444

IUPAC2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H10FNO2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2
InChIKeyWBYPZQIEVABAGS-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.62
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]isoindole-1,3-dione

2-[(4-fluorophenyl)methyl]isoindole-1,3-dione (PubChem CID 2774444) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
PubChem CID2774444
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H10FNO2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2
InChIKeyWBYPZQIEVABAGS-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.62
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

4-fluoro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 67482283
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[[3-(4-fluorophenyl)phenyl]methyl]isoindole-1,3-dione
CID 174552693
2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 20866740
2-[(4-propylphenyl)methyl]isoindole-1,3-dione
CID 118513791
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635
2-[[4-(difluoromethylsulfanyl)phenyl]methyl]isoindole-1,3-dione
CID 52801221
3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425
4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonyl chloride;sulfurochloridic acid
CID 159849106
1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909849
2-[(3-fluoro-4-methylsulfonylphenyl)methyl]isoindole-1,3-dione
CID 86711602

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]isoindole-1,3-dione (CID 2774444) is 2-[(4-fluorophenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
The InChIKey is WBYPZQIEVABAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]isoindole-1,3-dione?
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione has a molecular weight of 255.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 2774444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).