4-bromo-N-hydroxy-2-methylbenzamide

C8H8BrNO2 — CID 43629944

IUPAC4-bromo-N-hydroxy-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NO
InChIInChI=1S/C8H8BrNO2/c1-5-4-6(9)2-3-7(5)8(11)10-12/h2-4,12H,1H3,(H,10,11)
InChIKeyJBDFWPJSHYXJQW-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.88
Rot. Bonds1

About 4-bromo-N-hydroxy-2-methylbenzamide

4-bromo-N-hydroxy-2-methylbenzamide (PubChem CID 43629944) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 4-bromo-N-hydroxy-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-hydroxy-2-methylbenzamide
PubChem CID43629944
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name4-bromo-N-hydroxy-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NO
InChIInChI=1S/C8H8BrNO2/c1-5-4-6(9)2-3-7(5)8(11)10-12/h2-4,12H,1H3,(H,10,11)
InChIKeyJBDFWPJSHYXJQW-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-hydroxy-2-methylbenzamide?
The IUPAC name of 4-bromo-N-hydroxy-2-methylbenzamide (CID 43629944) is 4-bromo-N-hydroxy-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-hydroxy-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-hydroxy-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NO.
What is the InChIKey of 4-bromo-N-hydroxy-2-methylbenzamide?
The InChIKey is JBDFWPJSHYXJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-5-4-6(9)2-3-7(5)8(11)10-12/h2-4,12H,1H3,(H,10,11).
What are the key properties of 4-bromo-N-hydroxy-2-methylbenzamide?
4-bromo-N-hydroxy-2-methylbenzamide has a molecular weight of 230.06 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-hydroxy-2-methylbenzamide is sourced from PubChem (CID 43629944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).