5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide

C16H16BrNO — CID 65307111

IUPAC5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C16H16BrNO/c1-10-7-8-13(17)9-14(10)16(19)18-15-11(2)5-4-6-12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyZUQMCCUZNXCNCJ-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.63
Rot. Bonds2

About 5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide

5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide (PubChem CID 65307111) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
PubChem CID65307111
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C16H16BrNO/c1-10-7-8-13(17)9-14(10)16(19)18-15-11(2)5-4-6-12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyZUQMCCUZNXCNCJ-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070
N-(2-amino-6-methylphenyl)-2,4-dibromobenzamide
CID 107937350
3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide
CID 123151118
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115377789
5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
CID 65311671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide (CID 65307111) is 5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)Nc1c(C)cccc1C.
What is the InChIKey of 5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide?
The InChIKey is ZUQMCCUZNXCNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-7-8-13(17)9-14(10)16(19)18-15-11(2)5-4-6-12(15)3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide?
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide has a molecular weight of 318.21 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide is sourced from PubChem (CID 65307111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).