5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one

C14H8BrFN2O — CID 135559321

IUPAC5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/c1ccc(F)cc1
InChIInChI=1S/C14H8BrFN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7H,(H,17,18,19)
InChIKeyIARKYTYUAXJUGY-UHFFFAOYSA-N
MW319.13 g/mol
LogP3.66
Rot. Bonds1

About 5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one

5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one (PubChem CID 135559321) has the molecular formula C14H8BrFN2O and a molecular weight of 319.13 g/mol. Its IUPAC name is 5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
PubChem CID135559321
Molecular FormulaC14H8BrFN2O
Molecular Weight319.13 g/mol
Exact Mass317.98
IUPAC Name5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/c1ccc(F)cc1
InChIInChI=1S/C14H8BrFN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7H,(H,17,18,19)
InChIKeyIARKYTYUAXJUGY-UHFFFAOYSA-N
XLogP3.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one (CID 135559321) is 5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=N/c1ccc(F)cc1.
What is the InChIKey of 5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one?
The InChIKey is IARKYTYUAXJUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7H,(H,17,18,19).
What are the key properties of 5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one?
5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one has a molecular weight of 319.13 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135559321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).