2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide

C15H12BrF2NO — CID 107982586

IUPAC2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
SMILESCc1ccc(F)c(NC(=O)c2cccc(C)c2Br)c1F
InChIInChI=1S/C15H12BrF2NO/c1-8-4-3-5-10(12(8)16)15(20)19-14-11(17)7-6-9(2)13(14)18/h3-7H,1-2H3,(H,19,20)
InChIKeyOGRLPHMOWGJNGM-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.60
Rot. Bonds2

About 2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide

2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide (PubChem CID 107982586) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
PubChem CID107982586
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
SMILESCc1ccc(F)c(NC(=O)c2cccc(C)c2Br)c1F
InChIInChI=1S/C15H12BrF2NO/c1-8-4-3-5-10(12(8)16)15(20)19-14-11(17)7-6-9(2)13(14)18/h3-7H,1-2H3,(H,19,20)
InChIKeyOGRLPHMOWGJNGM-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 103857092
N-(2,6-difluoro-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 82829913
2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
CID 82818263
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641
5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-hydroxybenzamide
CID 107729819
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide (CID 107982586) is 2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide is Cc1ccc(F)c(NC(=O)c2cccc(C)c2Br)c1F.
What is the InChIKey of 2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide?
The InChIKey is OGRLPHMOWGJNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-8-4-3-5-10(12(8)16)15(20)19-14-11(17)7-6-9(2)13(14)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide?
2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide has a molecular weight of 340.17 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 107982586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).