2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione

C20H14FNO3 — CID 155528135

IUPAC2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1cccc2cc3c(cc12)C(=O)N(Cc1ccc(F)cc1)C3=O
InChIInChI=1S/C20H14FNO3/c1-25-18-4-2-3-13-9-16-17(10-15(13)18)20(24)22(19(16)23)11-12-5-7-14(21)8-6-12/h2-10H,11H2,1H3
InChIKeyCABBEVLDONVNEV-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.78
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione

2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione (PubChem CID 155528135) has the molecular formula C20H14FNO3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione
PubChem CID155528135
Molecular FormulaC20H14FNO3
Molecular Weight335.33 g/mol
Exact Mass335.10
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1cccc2cc3c(cc12)C(=O)N(Cc1ccc(F)cc1)C3=O
InChIInChI=1S/C20H14FNO3/c1-25-18-4-2-3-13-9-16-17(10-15(13)18)20(24)22(19(16)23)11-12-5-7-14(21)8-6-12/h2-10H,11H2,1H3
InChIKeyCABBEVLDONVNEV-UHFFFAOYSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxybenzo[f]isoindole-1,3-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione (CID 155528135) is 2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione is COc1cccc2cc3c(cc12)C(=O)N(Cc1ccc(F)cc1)C3=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione?
The InChIKey is CABBEVLDONVNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3/c1-25-18-4-2-3-13-9-16-17(10-15(13)18)20(24)22(19(16)23)11-12-5-7-14(21)8-6-12/h2-10H,11H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione?
2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione has a molecular weight of 335.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione is sourced from PubChem (CID 155528135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).