2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide

C9H10ClFN2O2 — CID 114453084

IUPAC2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1cc(F)cc(Cl)c1
InChIInChI=1S/C9H10ClFN2O2/c10-7-1-6(2-8(11)3-7)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14)
InChIKeyOCPLSSUNRLQWTG-UHFFFAOYSA-N
MW232.64 g/mol
LogP0.99
Rot. Bonds5

About 2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide

2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide (PubChem CID 114453084) has the molecular formula C9H10ClFN2O2 and a molecular weight of 232.64 g/mol. Its IUPAC name is 2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide
PubChem CID114453084
Molecular FormulaC9H10ClFN2O2
Molecular Weight232.64 g/mol
Exact Mass232.04
IUPAC Name2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1cc(F)cc(Cl)c1
InChIInChI=1S/C9H10ClFN2O2/c10-7-1-6(2-8(11)3-7)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14)
InChIKeyOCPLSSUNRLQWTG-UHFFFAOYSA-N
XLogP0.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

n-(3-Chloro-4-fluoro-benzyl)-o-methyl-hydroxylamine
CID 12146882
1-(3-chloro-4-fluorophenyl)-N-ethoxyethanamine
CID 78968840
1-(3-chloro-4-fluorophenyl)-N-ethoxymethanamine
CID 82708914
1-(3-chloro-4-fluorophenyl)-N-(2-methylpropoxy)methanamine
CID 82710458
1-(3-chlorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712052
1-(3-chloro-4-fluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712811
1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82715194
2-[(2-Chloro-5-fluorophenyl)methylamino]oxyacetamide
CID 102615909
2-[(3,5-Difluorophenyl)methylamino]oxyacetamide
CID 105403314
2-[2-[(3-Chloro-4-fluorophenyl)methylamino]ethoxy]acetamide
CID 106235228
2-[2-[(3-Chloro-5-fluorophenyl)methylamino]ethoxy]acetamide
CID 106235638
2-[2-[(5-Chloro-2-fluorophenyl)methylamino]ethoxy]acetamide
CID 106235643

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide?
The IUPAC name of 2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide (CID 114453084) is 2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide is NC(=O)CONCc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide?
The InChIKey is OCPLSSUNRLQWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O2/c10-7-1-6(2-8(11)3-7)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14).
What are the key properties of 2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide?
2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide has a molecular weight of 232.64 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-fluorophenyl)methylamino]oxyacetamide is sourced from PubChem (CID 114453084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).