4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide

C16H16BrNO — CID 113396743

IUPAC4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1C
InChIInChI=1S/C16H16BrNO/c1-10-4-6-14(9-11(10)2)18-16(19)13-5-7-15(17)12(3)8-13/h4-9H,1-3H3,(H,18,19)
InChIKeyRHKFKGXSXKKIOC-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.63
Rot. Bonds2

About 4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide

4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide (PubChem CID 113396743) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
PubChem CID113396743
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1C
InChIInChI=1S/C16H16BrNO/c1-10-4-6-14(9-11(10)2)18-16(19)13-5-7-15(17)12(3)8-13/h4-9H,1-3H3,(H,18,19)
InChIKeyRHKFKGXSXKKIOC-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-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
CID 19062672
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide
CID 115769554
N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 114820847
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide (CID 113396743) is 4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide is Cc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1C.
What is the InChIKey of 4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide?
The InChIKey is RHKFKGXSXKKIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-4-6-14(9-11(10)2)18-16(19)13-5-7-15(17)12(3)8-13/h4-9H,1-3H3,(H,18,19).
What are the key properties of 4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide?
4-bromo-N-(3,4-dimethylphenyl)-3-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 4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide is sourced from PubChem (CID 113396743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).