N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide

C16H15BrFNO — CID 115745964

IUPACN-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(F)cc2C)c(Br)c1
InChIInChI=1S/C16H15BrFNO/c1-9-6-11(3)15(14(17)7-9)19-16(20)13-5-4-12(18)8-10(13)2/h4-8H,1-3H3,(H,19,20)
InChIKeyDXDOFGTXNHORHC-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.77
Rot. Bonds2

About N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide

N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide (PubChem CID 115745964) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide
PubChem CID115745964
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(F)cc2C)c(Br)c1
InChIInChI=1S/C16H15BrFNO/c1-9-6-11(3)15(14(17)7-9)19-16(20)13-5-4-12(18)8-10(13)2/h4-8H,1-3H3,(H,19,20)
InChIKeyDXDOFGTXNHORHC-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide
CID 107121286
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
CID 28520538
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide
CID 103819127
N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
CID 106501147
N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 9276694
4-hydroxy-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 103863704
N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671523
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide (CID 115745964) is N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide is Cc1cc(C)c(NC(=O)c2ccc(F)cc2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide?
The InChIKey is DXDOFGTXNHORHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-9-6-11(3)15(14(17)7-9)19-16(20)13-5-4-12(18)8-10(13)2/h4-8H,1-3H3,(H,19,20).
What are the key properties of N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide?
N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide has a molecular weight of 336.20 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 115745964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).