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

C9H9ClN2O2 — CID 682234

IUPACN-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)NN=Cc1ccccc1Cl
InChIInChI=1S/C9H9ClN2O2/c10-8-4-2-1-3-7(8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14)
InChIKeyLUJWZKMGSAFNNO-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.78
Rot. Bonds3

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

N-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide (PubChem CID 682234) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide
PubChem CID682234
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide
SMILESO=C(CO)NN=Cc1ccccc1Cl
InChIInChI=1S/C9H9ClN2O2/c10-8-4-2-1-3-7(8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14)
InChIKeyLUJWZKMGSAFNNO-UHFFFAOYSA-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-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide (CID 682234) is N-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide is O=C(CO)NN=Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide?
The InChIKey is LUJWZKMGSAFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-8-4-2-1-3-7(8)5-11-12-9(14)6-13/h1-5,13H,6H2,(H,12,14).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide?
N-[(2-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-[(2-chlorophenyl)methylideneamino]-2-hydroxyacetamide is sourced from PubChem (CID 682234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).