2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide

C18H19FN2O3 — CID 6905527

IUPAC2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCOc1ccccc1/C=N/OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-23-17-6-4-3-5-15(17)12-21-24-13-18(22)20-11-14-7-9-16(19)10-8-14/h3-10,12H,2,11,13H2,1H3,(H,20,22)/b21-12+
InChIKeySKCVJLDXGJAWDE-CIAFOILYSA-N
MW330.36 g/mol
LogP2.89
Rot. Bonds8

About 2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide

2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 6905527) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID6905527
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCOc1ccccc1/C=N/OCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-23-17-6-4-3-5-15(17)12-21-24-13-18(22)20-11-14-7-9-16(19)10-8-14/h3-10,12H,2,11,13H2,1H3,(H,20,22)/b21-12+
InChIKeySKCVJLDXGJAWDE-CIAFOILYSA-N
XLogP2.89
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide (CID 6905527) is 2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide is CCOc1ccccc1/C=N/OCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is SKCVJLDXGJAWDE-CIAFOILYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-23-17-6-4-3-5-15(17)12-21-24-13-18(22)20-11-14-7-9-16(19)10-8-14/h3-10,12H,2,11,13H2,1H3,(H,20,22)/b21-12+.
What are the key properties of 2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide?
2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 330.36 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-ethoxyphenyl)methylideneamino]oxy-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 6905527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).