3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide

C17H18BrNO — CID 104851725

IUPAC3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C17H18BrNO/c1-10-5-12(3)16(13(4)6-10)19-17(20)14-7-11(2)8-15(18)9-14/h5-9H,1-4H3,(H,19,20)
InChIKeyPTBCOCIDWNIOFZ-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.94
Rot. Bonds2

About 3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide

3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 104851725) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID104851725
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C17H18BrNO/c1-10-5-12(3)16(13(4)6-10)19-17(20)14-7-11(2)8-15(18)9-14/h5-9H,1-4H3,(H,19,20)
InChIKeyPTBCOCIDWNIOFZ-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide
CID 122143078
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide
CID 104852796
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
CID 113461585
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide (CID 104851725) is 3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(Br)cc(C(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is PTBCOCIDWNIOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-10-5-12(3)16(13(4)6-10)19-17(20)14-7-11(2)8-15(18)9-14/h5-9H,1-4H3,(H,19,20).
What are the key properties of 3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide?
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 104851725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).