4-bromo-N-hydroxybenzamide

C7H6BrNO2 — CID 603910

IUPAC4-bromo-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Br)cc1
InChIInChI=1S/C7H6BrNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)
InChIKeyVESPFSJNQMGUCQ-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.57
Rot. Bonds1

About 4-bromo-N-hydroxybenzamide

4-bromo-N-hydroxybenzamide (PubChem CID 603910) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is 4-bromo-N-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-hydroxybenzamide
PubChem CID603910
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Name4-bromo-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Br)cc1
InChIInChI=1S/C7H6BrNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)
InChIKeyVESPFSJNQMGUCQ-UHFFFAOYSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzohydroxamic acid
CID 10313
4-Bromobenzohydrazide
CID 22219
4-Bromobenzamide
CID 69683
N-Hydroxy-4-iodobenzamide
CID 615643
3-Bromobenzamide
CID 89807
Potassium benzohydroxamate
CID 3808331
Benzamide, 4-fluoro-
CID 136300
8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide
CID 11120992
N'-acetyl-4-bromobenzohydrazide
CID 99357
2-bromo-N-hydroxybenzamide
CID 24701375
2-Bromobenzamide
CID 77616
4-Bromo-2-fluorobenzamide
CID 2773331

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-hydroxybenzamide?
The IUPAC name of 4-bromo-N-hydroxybenzamide (CID 603910) is 4-bromo-N-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-hydroxybenzamide is O=C(NO)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-hydroxybenzamide?
The InChIKey is VESPFSJNQMGUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10).
What are the key properties of 4-bromo-N-hydroxybenzamide?
4-bromo-N-hydroxybenzamide has a molecular weight of 216.03 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-hydroxybenzamide is sourced from PubChem (CID 603910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).