3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide

C13H6Br3F2NO — CID 107972354

IUPAC3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H6Br3F2NO/c14-7-1-6(2-8(15)3-7)13(20)19-12-10(17)4-9(16)5-11(12)18/h1-5H,(H,19,20)
InChIKeyGZWUKKZEJYRUSV-UHFFFAOYSA-N
MW469.91 g/mol
LogP5.50
Rot. Bonds2

About 3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide

3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide (PubChem CID 107972354) has the molecular formula C13H6Br3F2NO and a molecular weight of 469.91 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
PubChem CID107972354
Molecular FormulaC13H6Br3F2NO
Molecular Weight469.91 g/mol
Exact Mass466.80
IUPAC Name3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H6Br3F2NO/c14-7-1-6(2-8(15)3-7)13(20)19-12-10(17)4-9(16)5-11(12)18/h1-5H,(H,19,20)
InChIKeyGZWUKKZEJYRUSV-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

2-bromo-N-(4-bromo-2,6-difluorophenyl)pyridine-4-carboxamide
CID 103759038
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65468967
3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide
CID 44586466
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
CID 65470097
N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide
CID 103220871
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 65469908
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
N-(4-bromo-2,6-difluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 65499839
2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
CID 65470052

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide (CID 107972354) is 3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide is O=C(Nc1c(F)cc(Br)cc1F)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide?
The InChIKey is GZWUKKZEJYRUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br3F2NO/c14-7-1-6(2-8(15)3-7)13(20)19-12-10(17)4-9(16)5-11(12)18/h1-5H,(H,19,20).
What are the key properties of 3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide?
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide 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 3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide is sourced from PubChem (CID 107972354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).