2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione

C16H10FNO5 — CID 10403400

IUPAC2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1cc(O)c(O)cc1F
InChIInChI=1S/C16H10FNO5/c17-11-6-13(20)12(19)5-10(11)14(21)7-18-15(22)8-3-1-2-4-9(8)16(18)23/h1-6,19-20H,7H2
InChIKeyIPHMODBWOSSMCE-UHFFFAOYSA-N
MW315.26 g/mol
LogP1.72
Rot. Bonds3

About 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 10403400) has the molecular formula C16H10FNO5 and a molecular weight of 315.26 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID10403400
Molecular FormulaC16H10FNO5
Molecular Weight315.26 g/mol
Exact Mass315.05
IUPAC Name2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)c1cc(O)c(O)cc1F
InChIInChI=1S/C16H10FNO5/c17-11-6-13(20)12(19)5-10(11)14(21)7-18-15(22)8-3-1-2-4-9(8)16(18)23/h1-6,19-20H,7H2
InChIKeyIPHMODBWOSSMCE-UHFFFAOYSA-N
XLogP1.72
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione (CID 10403400) is 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)c1cc(O)c(O)cc1F.
What is the InChIKey of 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is IPHMODBWOSSMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO5/c17-11-6-13(20)12(19)5-10(11)14(21)7-18-15(22)8-3-1-2-4-9(8)16(18)23/h1-6,19-20H,7H2.
What are the key properties of 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 315.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4,5-dihydroxyphenyl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 10403400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).