2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide

C9H11BrN2O3 — CID 112673065

IUPAC2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1cccc(Br)c1O
InChIInChI=1S/C9H11BrN2O3/c10-7-3-1-2-6(9(7)14)4-12-15-5-8(11)13/h1-3,12,14H,4-5H2,(H2,11,13)
InChIKeyLHUQZQRNOQNICM-UHFFFAOYSA-N
MW275.10 g/mol
LogP0.66
Rot. Bonds5

About 2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide

2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide (PubChem CID 112673065) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide
PubChem CID112673065
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1cccc(Br)c1O
InChIInChI=1S/C9H11BrN2O3/c10-7-3-1-2-6(9(7)14)4-12-15-5-8(11)13/h1-3,12,14H,4-5H2,(H2,11,13)
InChIKeyLHUQZQRNOQNICM-UHFFFAOYSA-N
XLogP0.66
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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-bromophenyl)methylamino]oxyacetamide
CID 112672470
2-bromo-6-[(ethoxyamino)methyl]phenol
CID 82709957
2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 61390811
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
methyl 2-amino-3-(3-bromo-2-hydroxyphenyl)propanoate
CID 170883663
2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide
CID 112672945
2-[(2-hydroxy-5-methylphenyl)methylamino]oxyacetamide
CID 112673254
2-[(6-methoxy-2-pyridinyl)methylamino]oxyacetamide
CID 112673964
2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115696332
2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide
CID 102837239

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide?
The IUPAC name of 2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide (CID 112673065) is 2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide is NC(=O)CONCc1cccc(Br)c1O.
What is the InChIKey of 2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide?
The InChIKey is LHUQZQRNOQNICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c10-7-3-1-2-6(9(7)14)4-12-15-5-8(11)13/h1-3,12,14H,4-5H2,(H2,11,13).
What are the key properties of 2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide?
2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide has a molecular weight of 275.10 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide is sourced from PubChem (CID 112673065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).