2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione

C18H13FN2O3 — CID 11012759

IUPAC2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC1(F)C(=O)Nc2ccccc21
InChIInChI=1S/C18H13FN2O3/c19-18(13-7-3-4-8-14(13)20-17(18)24)9-10-21-15(22)11-5-1-2-6-12(11)16(21)23/h1-8H,9-10H2,(H,20,24)
InChIKeyBUYZZKASVUBKQF-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.49
Rot. Bonds3

About 2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione

2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione (PubChem CID 11012759) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione
PubChem CID11012759
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC1(F)C(=O)Nc2ccccc21
InChIInChI=1S/C18H13FN2O3/c19-18(13-7-3-4-8-14(13)20-17(18)24)9-10-21-15(22)11-5-1-2-6-12(11)16(21)23/h1-8H,9-10H2,(H,20,24)
InChIKeyBUYZZKASVUBKQF-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one
CID 101057345
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate
CID 101031126
2-(8-bromooctyl)isoindole-1,3-dione;isoindole-1,3-dione
CID 67624782
(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305783
3-fluoro-3-heptyl-1H-quinoline-2,4-dione
CID 2784364
3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one
CID 71619697
CID 88976080
CID 88976080
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
CID 57427465
CID 57427465
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione (CID 11012759) is 2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCC1(F)C(=O)Nc2ccccc21.
What is the InChIKey of 2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The InChIKey is BUYZZKASVUBKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c19-18(13-7-3-4-8-14(13)20-17(18)24)9-10-21-15(22)11-5-1-2-6-12(11)16(21)23/h1-8H,9-10H2,(H,20,24).
What are the key properties of 2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione has a molecular weight of 324.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 11012759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).