3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide

C16H15Br2NO — CID 107575045

IUPAC3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cccc(Br)c2C)cc(C)c1Br
InChIInChI=1S/C16H15Br2NO/c1-9-7-12(8-10(2)15(9)18)19-16(20)13-5-4-6-14(17)11(13)3/h4-8H,1-3H3,(H,19,20)
InChIKeyICKWSRSRPFUETA-UHFFFAOYSA-N
MW397.11 g/mol
LogP5.39
Rot. Bonds2

About 3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide

3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide (PubChem CID 107575045) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
PubChem CID107575045
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide
SMILESCc1cc(NC(=O)c2cccc(Br)c2C)cc(C)c1Br
InChIInChI=1S/C16H15Br2NO/c1-9-7-12(8-10(2)15(9)18)19-16(20)13-5-4-6-14(17)11(13)3/h4-8H,1-3H3,(H,19,20)
InChIKeyICKWSRSRPFUETA-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.11
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79035679
N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide
CID 107578899
N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide
CID 107575074
3-bromo-N-(3-bromo-4-nitrophenyl)-2-methylbenzamide
CID 82865786
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
CID 103706834
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
CID 107574838

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide?
The IUPAC name of 3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide (CID 107575045) is 3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide is Cc1cc(NC(=O)c2cccc(Br)c2C)cc(C)c1Br.
What is the InChIKey of 3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide?
The InChIKey is ICKWSRSRPFUETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-9-7-12(8-10(2)15(9)18)19-16(20)13-5-4-6-14(17)11(13)3/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide?
3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide has a molecular weight of 397.11 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-methylbenzamide is sourced from PubChem (CID 107575045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).