3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide

C15H13Br2NO — CID 104851628

IUPAC3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C15H13Br2NO/c1-9-5-11(8-13(17)6-9)15(19)18-14-4-3-12(16)7-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyMIKMVWJIIFJAHZ-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.08
Rot. Bonds2

About 3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide

3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide (PubChem CID 104851628) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
PubChem CID104851628
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C15H13Br2NO/c1-9-5-11(8-13(17)6-9)15(19)18-14-4-3-12(16)7-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyMIKMVWJIIFJAHZ-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide
CID 3343453
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 104853246
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756
3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
CID 104852225

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide (CID 104851628) is 3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of 3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide?
The InChIKey is MIKMVWJIIFJAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-9-5-11(8-13(17)6-9)15(19)18-14-4-3-12(16)7-10(14)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide?
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide has a molecular weight of 383.08 g/mol, XLogP of 5.08, 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-2-methylphenyl)-5-methylbenzamide is sourced from PubChem (CID 104851628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).