N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide

C9H9FN2O2 — CID 5340423

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)N/N=C/c1ccccc1F
InChIInChI=1S/C9H9FN2O2/c10-8-4-2-1-3-7(8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14)/b11-5+
InChIKeyKQOXYPPLPOMDNK-VZUCSPMQSA-N
MW196.18 g/mol
LogP0.27
Rot. Bonds3

About N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide

N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide (PubChem CID 5340423) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide
PubChem CID5340423
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)N/N=C/c1ccccc1F
InChIInChI=1S/C9H9FN2O2/c10-8-4-2-1-3-7(8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14)/b11-5+
InChIKeyKQOXYPPLPOMDNK-VZUCSPMQSA-N
XLogP0.27
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
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 N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide 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 N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide (CID 5340423) is N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide is O=C(CO)N/N=C/c1ccccc1F.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide?
The InChIKey is KQOXYPPLPOMDNK-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-8-4-2-1-3-7(8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14)/b11-5+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide?
N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide has a molecular weight of 196.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxyacetamide is sourced from PubChem (CID 5340423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).