N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide

C16H16BrNO — CID 113341710

IUPACN-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
SMILESCc1ccc(Br)c(NC(=O)c2c(C)cccc2C)c1
InChIInChI=1S/C16H16BrNO/c1-10-7-8-13(17)14(9-10)18-16(19)15-11(2)5-4-6-12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyVFXWECIBDJOEBI-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.63
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide

N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide (PubChem CID 113341710) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
PubChem CID113341710
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
SMILESCc1ccc(Br)c(NC(=O)c2c(C)cccc2C)c1
InChIInChI=1S/C16H16BrNO/c1-10-7-8-13(17)14(9-10)18-16(19)15-11(2)5-4-6-12(15)3/h4-9H,1-3H3,(H,18,19)
InChIKeyVFXWECIBDJOEBI-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-bromo-5-methylphenyl)-2,6-dichlorobenzamide
CID 82756818
N-(2-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 103867045
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
N-(2-bromo-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 82766572
(2-bromo-5-methylphenyl)urea
CID 82707313
N-(2-bromo-5-methylphenyl)-2-hydrazinylbenzamide
CID 82758478
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide (CID 113341710) is N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide is Cc1ccc(Br)c(NC(=O)c2c(C)cccc2C)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide?
The InChIKey is VFXWECIBDJOEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-7-8-13(17)14(9-10)18-16(19)15-11(2)5-4-6-12(15)3/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide?
N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide 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-5-methylphenyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 113341710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).