2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide

C8H6BrNO3 — CID 131176742

IUPAC2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide
SMILESO=C(NO)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H6BrNO3/c9-6-3-1-5(2-4-6)7(11)8(12)10-13/h1-4,13H,(H,10,12)
InChIKeyJJDMOOHRFPCAGJ-UHFFFAOYSA-N
MW244.04 g/mol
LogP1.14
Rot. Bonds2

About 2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide

2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide (PubChem CID 131176742) has the molecular formula C8H6BrNO3 and a molecular weight of 244.04 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide
PubChem CID131176742
Molecular FormulaC8H6BrNO3
Molecular Weight244.04 g/mol
Exact Mass242.95
IUPAC Name2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide
SMILESO=C(NO)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H6BrNO3/c9-6-3-1-5(2-4-6)7(11)8(12)10-13/h1-4,13H,(H,10,12)
InChIKeyJJDMOOHRFPCAGJ-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-2-oxoacetyl bromide
CID 57469239
dimethyl (Z)-2,3-bis(4-bromobenzoyl)but-2-enedioate
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N-(4-bromophenyl)-2-oxo-2-phenylacetamide
CID 15620422
4-bromobenzoic acid;copper
CID 67824318
2,2,2-tribromo-1-(4-bromophenyl)ethanone
CID 13089840
4-(4-bromophenyl)-1-phenylbutane-1,2,4-trione
CID 162997615
1-(4-bromophenyl)-4-phenylbutane-1,2,4-trione
CID 162856895
2-(4-bromophenyl)-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 82124945
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
2-(bromoamino)-1-(4-bromophenyl)ethanone
CID 86670861
benzene;1-(4-bromophenyl)ethanone
CID 174710467
(E)-2-(4-bromophenyl)-1-phenylbut-2-en-1-one
CID 135044201

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide (CID 131176742) is 2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide is O=C(NO)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide?
The InChIKey is JJDMOOHRFPCAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO3/c9-6-3-1-5(2-4-6)7(11)8(12)10-13/h1-4,13H,(H,10,12).
What are the key properties of 2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide?
2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide has a molecular weight of 244.04 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-hydroxy-2-oxoacetamide is sourced from PubChem (CID 131176742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).