5-(2-fluoroanilino)-1H-indole-4,7-dione

C14H9FN2O2 — CID 67652947

IUPAC5-(2-fluoroanilino)-1H-indole-4,7-dione
SMILESO=C1C(Nc2ccccc2F)=CC(=O)c2[nH]ccc21
InChIInChI=1S/C14H9FN2O2/c15-9-3-1-2-4-10(9)17-11-7-12(18)13-8(14(11)19)5-6-16-13/h1-7,16-17H
InChIKeyFRJSYMDBFIOVSJ-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.53
Rot. Bonds2

About 5-(2-fluoroanilino)-1H-indole-4,7-dione

5-(2-fluoroanilino)-1H-indole-4,7-dione (PubChem CID 67652947) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-1H-indole-4,7-dione.

Molecular Properties

Compound Name5-(2-fluoroanilino)-1H-indole-4,7-dione
PubChem CID67652947
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name5-(2-fluoroanilino)-1H-indole-4,7-dione
SMILESO=C1C(Nc2ccccc2F)=CC(=O)c2[nH]ccc21
InChIInChI=1S/C14H9FN2O2/c15-9-3-1-2-4-10(9)17-11-7-12(18)13-8(14(11)19)5-6-16-13/h1-7,16-17H
InChIKeyFRJSYMDBFIOVSJ-UHFFFAOYSA-N
XLogP2.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-1H-indole-4,7-dione?
The IUPAC name of 5-(2-fluoroanilino)-1H-indole-4,7-dione (CID 67652947) is 5-(2-fluoroanilino)-1H-indole-4,7-dione.
What is the SMILES notation for 5-(2-fluoroanilino)-1H-indole-4,7-dione?
The canonical SMILES for 5-(2-fluoroanilino)-1H-indole-4,7-dione is O=C1C(Nc2ccccc2F)=CC(=O)c2[nH]ccc21.
What is the InChIKey of 5-(2-fluoroanilino)-1H-indole-4,7-dione?
The InChIKey is FRJSYMDBFIOVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-9-3-1-2-4-10(9)17-11-7-12(18)13-8(14(11)19)5-6-16-13/h1-7,16-17H.
What are the key properties of 5-(2-fluoroanilino)-1H-indole-4,7-dione?
5-(2-fluoroanilino)-1H-indole-4,7-dione has a molecular weight of 256.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-1H-indole-4,7-dione is sourced from PubChem (CID 67652947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).