2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide

C17H17FN2O2 — CID 7703301

IUPAC2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CO/N=C\c1ccccc1F)c1ccccc1
InChIInChI=1S/C17H17FN2O2/c1-13(14-7-3-2-4-8-14)20-17(21)12-22-19-11-15-9-5-6-10-16(15)18/h2-11,13H,12H2,1H3,(H,20,21)/b19-11-/t13-/m1/s1
InChIKeyAKOGXKUKYFEDLE-LPXFMOJISA-N
MW300.33 g/mol
LogP3.05
Rot. Bonds6

About 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide

2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 7703301) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide
PubChem CID7703301
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CO/N=C\c1ccccc1F)c1ccccc1
InChIInChI=1S/C17H17FN2O2/c1-13(14-7-3-2-4-8-14)20-17(21)12-22-19-11-15-9-5-6-10-16(15)18/h2-11,13H,12H2,1H3,(H,20,21)/b19-11-/t13-/m1/s1
InChIKeyAKOGXKUKYFEDLE-LPXFMOJISA-N
XLogP3.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.05
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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Related Compounds

2-[[2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7703622
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7644363
N-benzyl-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703253
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7703285
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-phenylsulfanylethyl)acetamide
CID 9371567
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 7644461
N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide
CID 7919049
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 24606303
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
CID 9354637
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7703122

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide (CID 7703301) is 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CO/N=C\c1ccccc1F)c1ccccc1.
What is the InChIKey of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is AKOGXKUKYFEDLE-LPXFMOJISA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-13(14-7-3-2-4-8-14)20-17(21)12-22-19-11-15-9-5-6-10-16(15)18/h2-11,13H,12H2,1H3,(H,20,21)/b19-11-/t13-/m1/s1.
What are the key properties of 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide?
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 300.33 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 7703301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).