1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one

C22H15F3N2O2 — CID 1475468

IUPAC1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one
SMILESO=C1C(=NOCc2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C22H15F3N2O2/c23-22(24,25)16-8-6-7-15(13-16)14-29-26-20-18-11-4-5-12-19(18)27(21(20)28)17-9-2-1-3-10-17/h1-13H,14H2
InChIKeySOZKQKNLUJUHAG-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.30
Rot. Bonds4

About 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one

1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one (PubChem CID 1475468) has the molecular formula C22H15F3N2O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one.

Molecular Properties

Compound Name1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one
PubChem CID1475468
Molecular FormulaC22H15F3N2O2
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Name1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one
SMILESO=C1C(=NOCc2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C22H15F3N2O2/c23-22(24,25)16-8-6-7-15(13-16)14-29-26-20-18-11-4-5-12-19(18)27(21(20)28)17-9-2-1-3-10-17/h1-13H,14H2
InChIKeySOZKQKNLUJUHAG-UHFFFAOYSA-N
XLogP5.30
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one?
The IUPAC name of 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one (CID 1475468) is 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one.
What is the SMILES notation for 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one?
The canonical SMILES for 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one is O=C1C(=NOCc2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one?
The InChIKey is SOZKQKNLUJUHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2/c23-22(24,25)16-8-6-7-15(13-16)14-29-26-20-18-11-4-5-12-19(18)27(21(20)28)17-9-2-1-3-10-17/h1-13H,14H2.
What are the key properties of 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one?
1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one has a molecular weight of 396.37 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxyimino]indol-2-one is sourced from PubChem (CID 1475468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).