2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide

C9H11ClN2O2 — CID 2764490

IUPAC2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide
SMILESNOCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2/c10-8-3-1-7(2-4-8)5-12-9(13)6-14-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyRUXUTPIJSPNTBF-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.85
Rot. Bonds4

About 2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide

2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 2764490) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID2764490
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide
SMILESNOCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2/c10-8-3-1-7(2-4-8)5-12-9(13)6-14-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyRUXUTPIJSPNTBF-UHFFFAOYSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide (CID 2764490) is 2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide is NOCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is RUXUTPIJSPNTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-8-3-1-7(2-4-8)5-12-9(13)6-14-11/h1-4H,5-6,11H2,(H,12,13).
What are the key properties of 2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide?
2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 214.65 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 2764490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).