4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide

C13H6Br3F2NO — CID 107600670

IUPAC4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
SMILESO=C(Nc1c(Br)cccc1Br)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H6Br3F2NO/c14-6-4-9(17)11(10(18)5-6)13(20)19-12-7(15)2-1-3-8(12)16/h1-5H,(H,19,20)
InChIKeyBYMWJWHXVJNZEY-UHFFFAOYSA-N
MW469.91 g/mol
LogP5.50
Rot. Bonds2

About 4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide

4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide (PubChem CID 107600670) has the molecular formula C13H6Br3F2NO and a molecular weight of 469.91 g/mol. Its IUPAC name is 4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
PubChem CID107600670
Molecular FormulaC13H6Br3F2NO
Molecular Weight469.91 g/mol
Exact Mass466.80
IUPAC Name4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
SMILESO=C(Nc1c(Br)cccc1Br)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H6Br3F2NO/c14-6-4-9(17)11(10(18)5-6)13(20)19-12-7(15)2-1-3-8(12)16/h1-5H,(H,19,20)
InChIKeyBYMWJWHXVJNZEY-UHFFFAOYSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.91
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide
CID 135066630
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
4-bromo-N-(2-bromo-5-chlorophenyl)-2,6-difluorobenzamide
CID 81271266
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide
CID 114293310
3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
CID 113461585
3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide
CID 107596142
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
CID 65470097

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide (CID 107600670) is 4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide is O=C(Nc1c(Br)cccc1Br)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide?
The InChIKey is BYMWJWHXVJNZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br3F2NO/c14-6-4-9(17)11(10(18)5-6)13(20)19-12-7(15)2-1-3-8(12)16/h1-5H,(H,19,20).
What are the key properties of 4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide?
4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide has a molecular weight of 469.91 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 107600670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).