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

C9H10BrClN2O2 — CID 112672866

IUPAC2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClN2O2/c10-7-3-6(1-2-8(7)11)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14)
InChIKeyPUAPZKWCDVACHO-UHFFFAOYSA-N
MW293.55 g/mol
LogP1.61
Rot. Bonds5

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

2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide (PubChem CID 112672866) has the molecular formula C9H10BrClN2O2 and a molecular weight of 293.55 g/mol. Its IUPAC name is 2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide
PubChem CID112672866
Molecular FormulaC9H10BrClN2O2
Molecular Weight293.55 g/mol
Exact Mass291.96
IUPAC Name2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H10BrClN2O2/c10-7-3-6(1-2-8(7)11)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14)
InChIKeyPUAPZKWCDVACHO-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.55
LogP ≤ 51.61
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-[(3,4-dichlorophenyl)methylamino]oxyacetamide
CID 112672874
2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide
CID 112672945
2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
CID 114162017
2-[(3,5-dichlorophenyl)methylamino]oxyacetamide
CID 112672702
2-[(2-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672620
2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid
CID 23499557
2-[(4-phenylphenyl)methylamino]oxyacetamide
CID 112673244
2-[(2-bromophenyl)methylamino]oxyacetamide
CID 112672470
5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide
CID 83236587
2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide
CID 112673885
5-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorobenzoic acid
CID 83230245
ethyl 2-[(3-bromo-4-chlorophenyl)methylamino]propanoate
CID 83230089

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide?
The IUPAC name of 2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide (CID 112672866) is 2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide is NC(=O)CONCc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide?
The InChIKey is PUAPZKWCDVACHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O2/c10-7-3-6(1-2-8(7)11)4-13-15-5-9(12)14/h1-3,13H,4-5H2,(H2,12,14).
What are the key properties of 2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide?
2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide has a molecular weight of 293.55 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide is sourced from PubChem (CID 112672866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).