4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide

C8H7BrFNO2 — CID 131110604

IUPAC4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide
SMILESCc1c(Br)ccc(C(=O)NO)c1F
InChIInChI=1S/C8H7BrFNO2/c1-4-6(9)3-2-5(7(4)10)8(12)11-13/h2-3,13H,1H3,(H,11,12)
InChIKeyBXDIBTCFGUUMLT-UHFFFAOYSA-N
MW248.05 g/mol
LogP2.02
Rot. Bonds1

About 4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide

4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide (PubChem CID 131110604) has the molecular formula C8H7BrFNO2 and a molecular weight of 248.05 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide
PubChem CID131110604
Molecular FormulaC8H7BrFNO2
Molecular Weight248.05 g/mol
Exact Mass246.96
IUPAC Name4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide
SMILESCc1c(Br)ccc(C(=O)NO)c1F
InChIInChI=1S/C8H7BrFNO2/c1-4-6(9)3-2-5(7(4)10)8(12)11-13/h2-3,13H,1H3,(H,11,12)
InChIKeyBXDIBTCFGUUMLT-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 52.02
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

ethyl 2-(4-bromo-2-fluoro-3-methylphenyl)-2-oxoacetate
CID 117466629
(4-bromo-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 171382979
methane;methyl 4-bromo-2-fluoro-3-methylbenzoate;methyl 2-fluoro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158468803
2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide
CID 130223984
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
2-(4-bromo-2-fluoro-3-methylphenyl)ethanol
CID 117337325
(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 171382981
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
4-bromo-2-fluoro-3-methylbenzaldehyde
CID 99769903
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
CID 65488531

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide?
The IUPAC name of 4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide (CID 131110604) is 4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide is Cc1c(Br)ccc(C(=O)NO)c1F.
What is the InChIKey of 4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide?
The InChIKey is BXDIBTCFGUUMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO2/c1-4-6(9)3-2-5(7(4)10)8(12)11-13/h2-3,13H,1H3,(H,11,12).
What are the key properties of 4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide?
4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide has a molecular weight of 248.05 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide is sourced from PubChem (CID 131110604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).