3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one

C21H14ClFN2O2 — CID 1475467

IUPAC3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one
SMILESO=C1C(=NOCc2c(F)cccc2Cl)c2ccccc2N1c1ccccc1
InChIInChI=1S/C21H14ClFN2O2/c22-17-10-6-11-18(23)16(17)13-27-24-20-15-9-4-5-12-19(15)25(21(20)26)14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyZVTAUDDGQVRBFQ-UHFFFAOYSA-N
MW380.81 g/mol
LogP5.08
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one

3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one (PubChem CID 1475467) has the molecular formula C21H14ClFN2O2 and a molecular weight of 380.81 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one
PubChem CID1475467
Molecular FormulaC21H14ClFN2O2
Molecular Weight380.81 g/mol
Exact Mass380.07
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one
SMILESO=C1C(=NOCc2c(F)cccc2Cl)c2ccccc2N1c1ccccc1
InChIInChI=1S/C21H14ClFN2O2/c22-17-10-6-11-18(23)16(17)13-27-24-20-15-9-4-5-12-19(15)25(21(20)26)14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyZVTAUDDGQVRBFQ-UHFFFAOYSA-N
XLogP5.08
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.81
LogP ≤ 55.08
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 3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one (CID 1475467) is 3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one is O=C1C(=NOCc2c(F)cccc2Cl)c2ccccc2N1c1ccccc1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one?
The InChIKey is ZVTAUDDGQVRBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O2/c22-17-10-6-11-18(23)16(17)13-27-24-20-15-9-4-5-12-19(15)25(21(20)26)14-7-2-1-3-8-14/h1-12H,13H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one?
3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one has a molecular weight of 380.81 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-phenylindol-2-one is sourced from PubChem (CID 1475467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).