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

C13H6BrF4NO — CID 2197858

IUPACN-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1c(F)cccc1F
InChIInChI=1S/C13H6BrF4NO/c14-6-4-9(17)12(10(18)5-6)19-13(20)11-7(15)2-1-3-8(11)16/h1-5H,(H,19,20)
InChIKeyGEMZEXPYWHKHNP-UHFFFAOYSA-N
MW348.09 g/mol
LogP4.26
Rot. Bonds2

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

N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide (PubChem CID 2197858) has the molecular formula C13H6BrF4NO and a molecular weight of 348.09 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
PubChem CID2197858
Molecular FormulaC13H6BrF4NO
Molecular Weight348.09 g/mol
Exact Mass346.96
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
SMILESO=C(Nc1c(F)cc(Br)cc1F)c1c(F)cccc1F
InChIInChI=1S/C13H6BrF4NO/c14-6-4-9(17)12(10(18)5-6)19-13(20)11-7(15)2-1-3-8(11)16/h1-5H,(H,19,20)
InChIKeyGEMZEXPYWHKHNP-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.09
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
CID 107600670
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
CID 65470097
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide
CID 135066630
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
CID 65470052
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
N-(4-bromo-2,6-difluorophenyl)-5-chlorofuran-2-carboxamide
CID 65498748
N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide
CID 65433208
N-(2,6-dichlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015267

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide (CID 2197858) is N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide is O=C(Nc1c(F)cc(Br)cc1F)c1c(F)cccc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide?
The InChIKey is GEMZEXPYWHKHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF4NO/c14-6-4-9(17)12(10(18)5-6)19-13(20)11-7(15)2-1-3-8(11)16/h1-5H,(H,19,20).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide?
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide has a molecular weight of 348.09 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 2197858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).