2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide

C9H10BrFN2O2 — CID 112673885

IUPAC2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1ccc(F)cc1Br
InChIInChI=1S/C9H10BrFN2O2/c10-8-3-7(11)2-1-6(8)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14)
InChIKeyOFEUTZQIJPJSSA-UHFFFAOYSA-N
MW277.09 g/mol
LogP1.09
Rot. Bonds5

About 2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide

2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide (PubChem CID 112673885) has the molecular formula C9H10BrFN2O2 and a molecular weight of 277.09 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide
PubChem CID112673885
Molecular FormulaC9H10BrFN2O2
Molecular Weight277.09 g/mol
Exact Mass275.99
IUPAC Name2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1ccc(F)cc1Br
InChIInChI=1S/C9H10BrFN2O2/c10-8-3-7(11)2-1-6(8)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14)
InChIKeyOFEUTZQIJPJSSA-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 51.09
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-[(2-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672620
2-[(2-bromophenyl)methylamino]oxyacetamide
CID 112672470
2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide
CID 112673065
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301
2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
CID 43430625
2-[(2,4-dimethylphenyl)methylamino]oxyacetamide
CID 112672487
2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672866
2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
CID 119297944
2-(2-bromo-5-fluorophenoxy)acetamide
CID 81494596
3-[(2-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43466684
2-[(2,5-dimethylphenyl)methylamino]oxyacetamide
CID 112672460
2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide
CID 102837239

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide (CID 112673885) is 2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide is NC(=O)CONCc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide?
The InChIKey is OFEUTZQIJPJSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O2/c10-8-3-7(11)2-1-6(8)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide?
2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide has a molecular weight of 277.09 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide is sourced from PubChem (CID 112673885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).