2-[(2-bromophenyl)methylamino]oxyacetamide

C9H11BrN2O2 — CID 112672470

IUPAC2-[(2-bromophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1ccccc1Br
InChIInChI=1S/C9H11BrN2O2/c10-8-4-2-1-3-7(8)5-12-14-6-9(11)13/h1-4,12H,5-6H2,(H2,11,13)
InChIKeyRIEFQBHOIBSETL-UHFFFAOYSA-N
MW259.10 g/mol
LogP0.96
Rot. Bonds5

About 2-[(2-bromophenyl)methylamino]oxyacetamide

2-[(2-bromophenyl)methylamino]oxyacetamide (PubChem CID 112672470) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylamino]oxyacetamide
PubChem CID112672470
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-[(2-bromophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1ccccc1Br
InChIInChI=1S/C9H11BrN2O2/c10-8-4-2-1-3-7(8)5-12-14-6-9(11)13/h1-4,12H,5-6H2,(H2,11,13)
InChIKeyRIEFQBHOIBSETL-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.96
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

2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide
CID 112673065
2-[(2-methylphenyl)methylamino]oxyacetamide
CID 112672645
2-[(2-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672620
2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide
CID 112673885
2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672866
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide
CID 112672945
2-[(2,4-dimethylphenyl)methylamino]oxyacetamide
CID 112672487
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
1-[(2-bromophenyl)methoxy]-3-chloropropan-2-one
CID 170561733
(2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55444267

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylamino]oxyacetamide?
The IUPAC name of 2-[(2-bromophenyl)methylamino]oxyacetamide (CID 112672470) is 2-[(2-bromophenyl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(2-bromophenyl)methylamino]oxyacetamide is NC(=O)CONCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methylamino]oxyacetamide?
The InChIKey is RIEFQBHOIBSETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-8-4-2-1-3-7(8)5-12-14-6-9(11)13/h1-4,12H,5-6H2,(H2,11,13).
What are the key properties of 2-[(2-bromophenyl)methylamino]oxyacetamide?
2-[(2-bromophenyl)methylamino]oxyacetamide has a molecular weight of 259.10 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylamino]oxyacetamide is sourced from PubChem (CID 112672470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).