2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide

C23H19FN2O3 — CID 135418760

IUPAC2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide
SMILESCON=CNC(=O)C(c1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H19FN2O3/c1-29-26-15-25-23(28)21(16-10-12-20(24)13-11-16)18-8-5-9-19(14-18)22(27)17-6-3-2-4-7-17/h2-15,21H,1H3,(H,25,26,28)
InChIKeyXONLYEKPKJXQRB-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.89
Rot. Bonds7

About 2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide

2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide (PubChem CID 135418760) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide
PubChem CID135418760
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide
SMILESCON=CNC(=O)C(c1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H19FN2O3/c1-29-26-15-25-23(28)21(16-10-12-20(24)13-11-16)18-8-5-9-19(14-18)22(27)17-6-3-2-4-7-17/h2-15,21H,1H3,(H,25,26,28)
InChIKeyXONLYEKPKJXQRB-UHFFFAOYSA-N
XLogP3.89
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide?
The IUPAC name of 2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide (CID 135418760) is 2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide.
What is the SMILES notation for 2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide?
The canonical SMILES for 2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide is CON=CNC(=O)C(c1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide?
The InChIKey is XONLYEKPKJXQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-29-26-15-25-23(28)21(16-10-12-20(24)13-11-16)18-8-5-9-19(14-18)22(27)17-6-3-2-4-7-17/h2-15,21H,1H3,(H,25,26,28).
What are the key properties of 2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide?
2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide has a molecular weight of 390.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide is sourced from PubChem (CID 135418760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).