2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide

C16H14ClFN2O2 — CID 6870687

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1F
InChIInChI=1S/C16H14ClFN2O2/c1-11-8-13(17)6-7-15(11)22-10-16(21)20-19-9-12-4-2-3-5-14(12)18/h2-9H,10H2,1H3,(H,20,21)/b19-9+
InChIKeyJKJQZOLQVJVJES-DJKKODMXSA-N
MW320.75 g/mol
LogP3.32
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide (PubChem CID 6870687) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
PubChem CID6870687
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1F
InChIInChI=1S/C16H14ClFN2O2/c1-11-8-13(17)6-7-15(11)22-10-16(21)20-19-9-12-4-2-3-5-14(12)18/h2-9H,10H2,1H3,(H,20,21)/b19-9+
InChIKeyJKJQZOLQVJVJES-DJKKODMXSA-N
XLogP3.32
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 ≤ 53.32
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'}

Analyze 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide (CID 6870687) is 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide is Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1F.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
The InChIKey is JKJQZOLQVJVJES-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-11-8-13(17)6-7-15(11)22-10-16(21)20-19-9-12-4-2-3-5-14(12)18/h2-9H,10H2,1H3,(H,20,21)/b19-9+.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide has a molecular weight of 320.75 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6870687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).