2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C18H17FN2O2 — CID 7703224

IUPAC2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CO/N=C\c1ccccc1F
InChIInChI=1S/C18H17FN2O2/c1-13-10-14-6-3-5-9-17(14)21(13)18(22)12-23-20-11-15-7-2-4-8-16(15)19/h2-9,11,13H,10,12H2,1H3/b20-11-/t13-/m1/s1
InChIKeyZYTQEWDKEZYFJZ-RBFBNPFJSA-N
MW312.34 g/mol
LogP3.15
Rot. Bonds4

About 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 7703224) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID7703224
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CO/N=C\c1ccccc1F
InChIInChI=1S/C18H17FN2O2/c1-13-10-14-6-3-5-9-17(14)21(13)18(22)12-23-20-11-15-7-2-4-8-16(15)19/h2-9,11,13H,10,12H2,1H3/b20-11-/t13-/m1/s1
InChIKeyZYTQEWDKEZYFJZ-RBFBNPFJSA-N
XLogP3.15
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.15
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'}

Analyze 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyethanone
CID 7670135
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7703815
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9355386
methyl 4-[(E)-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]iminomethyl]benzoate
CID 42967704
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-fluorobenzoate
CID 18776805
2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 42967686
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
N-[(E)-2-(2-fluorophenyl)ethenyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108904452
3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 134016689
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108954785
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,5-difluorobenzoate
CID 7925849
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7868061

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 7703224) is 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is C[C@@H]1Cc2ccccc2N1C(=O)CO/N=C\c1ccccc1F.
What is the InChIKey of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ZYTQEWDKEZYFJZ-RBFBNPFJSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-13-10-14-6-3-5-9-17(14)21(13)18(22)12-23-20-11-15-7-2-4-8-16(15)19/h2-9,11,13H,10,12H2,1H3/b20-11-/t13-/m1/s1.
What are the key properties of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 312.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 7703224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).