4-bromo-2-fluoro-6-methylbenzamide

C8H7BrFNO — CID 59473773

IUPAC4-bromo-2-fluoro-6-methylbenzamide
SMILESCc1cc(Br)cc(F)c1C(N)=O
InChIInChI=1S/C8H7BrFNO/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyIJOBPZLSYVGZPQ-UHFFFAOYSA-N
MW232.05 g/mol
LogP2.00
Rot. Bonds1

About 4-bromo-2-fluoro-6-methylbenzamide

4-bromo-2-fluoro-6-methylbenzamide (PubChem CID 59473773) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-methylbenzamide
PubChem CID59473773
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name4-bromo-2-fluoro-6-methylbenzamide
SMILESCc1cc(Br)cc(F)c1C(N)=O
InChIInChI=1S/C8H7BrFNO/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyIJOBPZLSYVGZPQ-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 177031736
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1-(4-bromo-2-fluoro-6-methylphenyl)-2,2-diethoxyethanone
CID 177064336
2-fluoro-6-methyl-4-nitrobenzamide
CID 130969161
4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide
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(4-bromo-2,6-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107515034
2,5-dibromo-1-fluoro-3-methylbenzene
CID 56604211
2-(5-bromo-2,3-difluorophenoxy)-4-methylpyridine-3-carboxamide
CID 107099186
4-bromo-2-fluoro-6-[3-hydroxybutyl(methyl)amino]benzamide
CID 133441604
2-amino-4-bromo-6-fluorobenzoic acid
CID 67257607
2-fluoro-6-methyl-4-piperidin-4-ylbenzamide
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4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide
CID 133423424

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-methylbenzamide?
The IUPAC name of 4-bromo-2-fluoro-6-methylbenzamide (CID 59473773) is 4-bromo-2-fluoro-6-methylbenzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-methylbenzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-methylbenzamide is Cc1cc(Br)cc(F)c1C(N)=O.
What is the InChIKey of 4-bromo-2-fluoro-6-methylbenzamide?
The InChIKey is IJOBPZLSYVGZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H2,11,12).
What are the key properties of 4-bromo-2-fluoro-6-methylbenzamide?
4-bromo-2-fluoro-6-methylbenzamide has a molecular weight of 232.05 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 59473773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).