2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide

C15H12ClFN2O2 — CID 2083850

IUPAC2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
SMILESO=C(CON=Cc1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O2/c16-12-3-1-11(2-4-12)9-18-21-10-15(20)19-14-7-5-13(17)6-8-14/h1-9H,10H2,(H,19,20)
InChIKeyFJDBMTRPWDWKGZ-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.47
Rot. Bonds5

About 2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide

2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide (PubChem CID 2083850) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
PubChem CID2083850
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
SMILESO=C(CON=Cc1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O2/c16-12-3-1-11(2-4-12)9-18-21-10-15(20)19-14-7-5-13(17)6-8-14/h1-9H,10H2,(H,19,20)
InChIKeyFJDBMTRPWDWKGZ-UHFFFAOYSA-N
XLogP3.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.47
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 2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide (CID 2083850) is 2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide is O=C(CON=Cc1ccc(Cl)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide?
The InChIKey is FJDBMTRPWDWKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c16-12-3-1-11(2-4-12)9-18-21-10-15(20)19-14-7-5-13(17)6-8-14/h1-9H,10H2,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide?
2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide has a molecular weight of 306.72 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2083850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).