5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione

C18H16FNO5 — CID 4555963

IUPAC5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione
SMILESCOc1cc(CN2C(=O)c3ccc(F)cc3C2=O)cc(OC)c1OC
InChIInChI=1S/C18H16FNO5/c1-23-14-6-10(7-15(24-2)16(14)25-3)9-20-17(21)12-5-4-11(19)8-13(12)18(20)22/h4-8H,9H2,1-3H3
InChIKeyMDNYDLMRUDRDCY-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.65
Rot. Bonds5

About 5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione

5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione (PubChem CID 4555963) has the molecular formula C18H16FNO5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione
PubChem CID4555963
Molecular FormulaC18H16FNO5
Molecular Weight345.33 g/mol
Exact Mass345.10
IUPAC Name5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione
SMILESCOc1cc(CN2C(=O)c3ccc(F)cc3C2=O)cc(OC)c1OC
InChIInChI=1S/C18H16FNO5/c1-23-14-6-10(7-15(24-2)16(14)25-3)9-20-17(21)12-5-4-11(19)8-13(12)18(20)22/h4-8H,9H2,1-3H3
InChIKeyMDNYDLMRUDRDCY-UHFFFAOYSA-N
XLogP2.65
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione (CID 4555963) is 5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione is COc1cc(CN2C(=O)c3ccc(F)cc3C2=O)cc(OC)c1OC.
What is the InChIKey of 5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione?
The InChIKey is MDNYDLMRUDRDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO5/c1-23-14-6-10(7-15(24-2)16(14)25-3)9-20-17(21)12-5-4-11(19)8-13(12)18(20)22/h4-8H,9H2,1-3H3.
What are the key properties of 5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione?
5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione has a molecular weight of 345.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3,4,5-trimethoxyphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 4555963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).