2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide

C10H13BrN2O3 — CID 112672945

IUPAC2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide
SMILESCOc1ccc(CNOCC(N)=O)cc1Br
InChIInChI=1S/C10H13BrN2O3/c1-15-9-3-2-7(4-8(9)11)5-13-16-6-10(12)14/h2-4,13H,5-6H2,1H3,(H2,12,14)
InChIKeyOJWFAZDOENWRCC-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.96
Rot. Bonds6

About 2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide

2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide (PubChem CID 112672945) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide
PubChem CID112672945
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide
SMILESCOc1ccc(CNOCC(N)=O)cc1Br
InChIInChI=1S/C10H13BrN2O3/c1-15-9-3-2-7(4-8(9)11)5-13-16-6-10(12)14/h2-4,13H,5-6H2,1H3,(H2,12,14)
InChIKeyOJWFAZDOENWRCC-UHFFFAOYSA-N
XLogP0.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-chlorophenyl)methylamino]oxyacetamide
CID 112672866
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
2-[(3,4-dichlorophenyl)methylamino]oxyacetamide
CID 112672874
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
methyl 2-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690959
N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloropropanamide
CID 115162492
2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846729
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]butanamide
CID 115154174
1-amino-3-[(3-bromo-4-methoxyphenyl)methyl]thiourea
CID 13260652
N-[(3-bromo-4-methoxyphenyl)methyl]benzamide
CID 72547442
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
2-[(3-bromo-4-methoxyphenyl)methylamino]benzoic acid
CID 43774574

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide (CID 112672945) is 2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide is COc1ccc(CNOCC(N)=O)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide?
The InChIKey is OJWFAZDOENWRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-15-9-3-2-7(4-8(9)11)5-13-16-6-10(12)14/h2-4,13H,5-6H2,1H3,(H2,12,14).
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide?
2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide has a molecular weight of 289.13 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide is sourced from PubChem (CID 112672945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).