2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione

C16H12FNO2 — CID 118731149

IUPAC2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C16H12FNO2/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyPXHZVRHUSZNNBN-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.93
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione

2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione (PubChem CID 118731149) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione
PubChem CID118731149
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C16H12FNO2/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyPXHZVRHUSZNNBN-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione (CID 118731149) is 2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione?
The InChIKey is PXHZVRHUSZNNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione?
2-[(4-fluorophenyl)methyl]-5-methylisoindole-1,3-dione has a molecular weight of 269.28 g/mol, XLogP of 2.93, 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]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 118731149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).