N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide

C16H14ClFN2O2 — CID 4314829

IUPACN-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide
SMILESCON=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-22-20-15(11-2-6-13(17)7-3-11)10-19-16(21)12-4-8-14(18)9-5-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyIKNJLNKZDJMVDY-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide

N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide (PubChem CID 4314829) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide
PubChem CID4314829
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide
SMILESCON=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-22-20-15(11-2-6-13(17)7-3-11)10-19-16(21)12-4-8-14(18)9-5-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyIKNJLNKZDJMVDY-UHFFFAOYSA-N
XLogP3.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.26
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 N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide (CID 4314829) is N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide is CON=C(CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide?
The InChIKey is IKNJLNKZDJMVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-22-20-15(11-2-6-13(17)7-3-11)10-19-16(21)12-4-8-14(18)9-5-12/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide?
N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide has a molecular weight of 320.75 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide is sourced from PubChem (CID 4314829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).