N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide

C16H16BrNO — CID 1233587

IUPACN-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccccc2C)cc1C
InChIInChI=1S/C16H16BrNO/c1-10-6-4-5-7-13(10)16(19)18-15-9-12(3)11(2)8-14(15)17/h4-9H,1-3H3,(H,18,19)
InChIKeyDAGGCVXWBSILEU-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.63
Rot. Bonds2

About N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide

N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide (PubChem CID 1233587) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide
PubChem CID1233587
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccccc2C)cc1C
InChIInChI=1S/C16H16BrNO/c1-10-6-4-5-7-13(10)16(19)18-15-9-12(3)11(2)8-14(15)17/h4-9H,1-3H3,(H,18,19)
InChIKeyDAGGCVXWBSILEU-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

N-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide
CID 84558594
N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide
CID 804702
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
CID 103410429
N-(4-iodo-3,5-dimethylphenyl)-2-methylbenzamide
CID 17274184
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide
CID 154278124
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide?
The IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide (CID 1233587) is N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide?
The canonical SMILES for N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide is Cc1cc(Br)c(NC(=O)c2ccccc2C)cc1C.
What is the InChIKey of N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide?
The InChIKey is DAGGCVXWBSILEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-6-4-5-7-13(10)16(19)18-15-9-12(3)11(2)8-14(15)17/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide?
N-(2-bromo-4,5-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 N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide is sourced from PubChem (CID 1233587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).