N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide

C14H9Br2F2NO — CID 4116047

IUPACN-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C14H9Br2F2NO/c1-7-5-8(15)13(9(16)6-7)19-14(20)12-10(17)3-2-4-11(12)18/h2-6H,1H3,(H,19,20)
InChIKeyXYMYYAXNDIUUJI-UHFFFAOYSA-N
MW405.04 g/mol
LogP5.05
Rot. Bonds2

About N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide

N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide (PubChem CID 4116047) has the molecular formula C14H9Br2F2NO and a molecular weight of 405.04 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
PubChem CID4116047
Molecular FormulaC14H9Br2F2NO
Molecular Weight405.04 g/mol
Exact Mass402.90
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C14H9Br2F2NO/c1-7-5-8(15)13(9(16)6-7)19-14(20)12-10(17)3-2-4-11(12)18/h2-6H,1H3,(H,19,20)
InChIKeyXYMYYAXNDIUUJI-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.04
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide
CID 135066630
4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
CID 107600670
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
CID 113461585
2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide
CID 65433208

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide (CID 4116047) is N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide is Cc1cc(Br)c(NC(=O)c2c(F)cccc2F)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide?
The InChIKey is XYMYYAXNDIUUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F2NO/c1-7-5-8(15)13(9(16)6-7)19-14(20)12-10(17)3-2-4-11(12)18/h2-6H,1H3,(H,19,20).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide?
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide has a molecular weight of 405.04 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 4116047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).