(3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one

C15H10ClFN2O2 — CID 172640398

IUPAC(3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=N/OCc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFN2O2/c16-10-3-1-9(2-4-10)8-21-19-14-12-7-11(17)5-6-13(12)18-15(14)20/h1-7H,8H2,(H,18,19,20)
InChIKeyBTBVWMKVGXWPCT-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.35
Rot. Bonds3

About (3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one

(3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one (PubChem CID 172640398) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one
PubChem CID172640398
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name(3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=N/OCc1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFN2O2/c16-10-3-1-9(2-4-10)8-21-19-14-12-7-11(17)5-6-13(12)18-15(14)20/h1-7H,8H2,(H,18,19,20)
InChIKeyBTBVWMKVGXWPCT-UHFFFAOYSA-N
XLogP3.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.35
H-Bond Donors ≤ 51
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 (3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one (CID 172640398) is (3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=N/OCc1ccc(Cl)cc1.
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one?
The InChIKey is BTBVWMKVGXWPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-10-3-1-9(2-4-10)8-21-19-14-12-7-11(17)5-6-13(12)18-15(14)20/h1-7H,8H2,(H,18,19,20).
What are the key properties of (3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one?
(3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one has a molecular weight of 304.71 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-chlorophenyl)methoxyimino]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 172640398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).