N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide

C9H9ClN2O2 — CID 6895620

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c10-8-3-1-7(2-4-8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14)/b11-5+
InChIKeyOOEHZZOHIXSINV-VZUCSPMQSA-N
MW212.64 g/mol
LogP0.78
Rot. Bonds3

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide (PubChem CID 6895620) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide
PubChem CID6895620
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c10-8-3-1-7(2-4-8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14)/b11-5+
InChIKeyOOEHZZOHIXSINV-VZUCSPMQSA-N
XLogP0.78
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.78
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide (CID 6895620) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide is O=C(CO)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide?
The InChIKey is OOEHZZOHIXSINV-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-8-3-1-7(2-4-8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14)/b11-5+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide has a molecular weight of 212.64 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-hydroxyacetamide is sourced from PubChem (CID 6895620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).