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

C15H13Br2NO — CID 104851666

IUPAC3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C15H13Br2NO/c1-9-3-4-13(17)14(7-9)18-15(19)11-5-10(2)6-12(16)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyQLEVYLPUSVMHAN-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.08
Rot. Bonds2

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

3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide (PubChem CID 104851666) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
PubChem CID104851666
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C15H13Br2NO/c1-9-3-4-13(17)14(7-9)18-15(19)11-5-10(2)6-12(16)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyQLEVYLPUSVMHAN-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-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756
3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
CID 104852225
N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
CID 113341710
N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 82707211

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide (CID 104851666) is 3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2cc(C)ccc2Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide?
The InChIKey is QLEVYLPUSVMHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-9-3-4-13(17)14(7-9)18-15(19)11-5-10(2)6-12(16)8-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide?
3-bromo-N-(2-bromo-5-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-(2-bromo-5-methylphenyl)-5-methylbenzamide is sourced from PubChem (CID 104851666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).