3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide

C16H16BrNO — CID 47314027

IUPAC3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrNO/c1-11-7-12(2)9-15(8-11)18(3)16(19)13-5-4-6-14(17)10-13/h4-10H,1-3H3
InChIKeyXWLZHONWXPMFQX-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.34
Rot. Bonds2

About 3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide

3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide (PubChem CID 47314027) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
PubChem CID47314027
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrNO/c1-11-7-12(2)9-15(8-11)18(3)16(19)13-5-4-6-14(17)10-13/h4-10H,1-3H3
InChIKeyXWLZHONWXPMFQX-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739345
N-(3-aminophenyl)-3-bromo-N-methylbenzamide
CID 61296754
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
CID 115165495
3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
CID 113460748
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
4-amino-N-(3-bromophenyl)-N-methylbenzamide
CID 82094901
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzamide
CID 62247328
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 113244776
3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001591
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The IUPAC name of 3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide (CID 47314027) is 3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide is Cc1cc(C)cc(N(C)C(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The InChIKey is XWLZHONWXPMFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11-7-12(2)9-15(8-11)18(3)16(19)13-5-4-6-14(17)10-13/h4-10H,1-3H3.
What are the key properties of 3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide?
3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide has a molecular weight of 318.21 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 47314027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).