N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide

C14H10BrF2NO — CID 2526988

IUPACN-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2F)ccc1Br
InChIInChI=1S/C14H10BrF2NO/c1-8-7-9(5-6-10(8)15)18-14(19)13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyYGBYAPDYEBQFIJ-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.29
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide

N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide (PubChem CID 2526988) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
PubChem CID2526988
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC NameN-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2F)ccc1Br
InChIInChI=1S/C14H10BrF2NO/c1-8-7-9(5-6-10(8)15)18-14(19)13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyYGBYAPDYEBQFIJ-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-methylphenyl)-2,6-dichlorobenzamide
CID 3367172
1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108992661
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 115920885
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63185694

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide (CID 2526988) is N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide is Cc1cc(NC(=O)c2c(F)cccc2F)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide?
The InChIKey is YGBYAPDYEBQFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-8-7-9(5-6-10(8)15)18-14(19)13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide?
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide has a molecular weight of 326.14 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 2526988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).