2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide

C8H7BrFNO2 — CID 130956774

IUPAC2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
SMILESCN(O)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C8H7BrFNO2/c1-11(13)8(12)7-5(9)3-2-4-6(7)10/h2-4,13H,1H3
InChIKeySKZCQDQRIBSISX-UHFFFAOYSA-N
MW248.05 g/mol
LogP2.05
Rot. Bonds1

About 2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide

2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide (PubChem CID 130956774) has the molecular formula C8H7BrFNO2 and a molecular weight of 248.05 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
PubChem CID130956774
Molecular FormulaC8H7BrFNO2
Molecular Weight248.05 g/mol
Exact Mass246.96
IUPAC Name2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
SMILESCN(O)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C8H7BrFNO2/c1-11(13)8(12)7-5(9)3-2-4-6(7)10/h2-4,13H,1H3
InChIKeySKZCQDQRIBSISX-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 52.05
H-Bond Donors ≤ 51
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

2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597
2-bromo-6-fluoro-N-methyl-N-phenylbenzamide
CID 115678224
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
CID 113251002
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide
CID 114559714
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
CID 115678772
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114560773
methyl 3-[(2-bromo-6-fluorobenzoyl)-methylamino]propanoate
CID 115681679

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide?
The IUPAC name of 2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide (CID 130956774) is 2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide is CN(O)C(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide?
The InChIKey is SKZCQDQRIBSISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO2/c1-11(13)8(12)7-5(9)3-2-4-6(7)10/h2-4,13H,1H3.
What are the key properties of 2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide?
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide has a molecular weight of 248.05 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide is sourced from PubChem (CID 130956774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).