5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one

C15H8BrF3N2O2 — CID 135519635

IUPAC5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H8BrF3N2O2/c16-8-1-6-12-11(7-8)13(14(22)21-12)20-9-2-4-10(5-3-9)23-15(17,18)19/h1-7H,(H,20,21,22)
InChIKeyFYHXQLRQNGVYOV-UHFFFAOYSA-N
MW385.14 g/mol
LogP4.42
Rot. Bonds2

About 5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one

5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one (PubChem CID 135519635) has the molecular formula C15H8BrF3N2O2 and a molecular weight of 385.14 g/mol. Its IUPAC name is 5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one
PubChem CID135519635
Molecular FormulaC15H8BrF3N2O2
Molecular Weight385.14 g/mol
Exact Mass383.97
IUPAC Name5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H8BrF3N2O2/c16-8-1-6-12-11(7-8)13(14(22)21-12)20-9-2-4-10(5-3-9)23-15(17,18)19/h1-7H,(H,20,21,22)
InChIKeyFYHXQLRQNGVYOV-UHFFFAOYSA-N
XLogP4.42
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.14
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(trifluoromethoxy)phenyl]imino-1H-indol-2-one?
The IUPAC name of 5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one (CID 135519635) is 5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=N/c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one?
The InChIKey is FYHXQLRQNGVYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2O2/c16-8-1-6-12-11(7-8)13(14(22)21-12)20-9-2-4-10(5-3-9)23-15(17,18)19/h1-7H,(H,20,21,22).
What are the key properties of 5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one?
5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one has a molecular weight of 385.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(trifluoromethoxy)phenyl]imino-1H-indol-2-one is sourced from PubChem (CID 135519635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).