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

C15H10Br2N2O — CID 104852225

IUPAC3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(C#N)cc2Br)c1
InChIInChI=1S/C15H10Br2N2O/c1-9-4-11(7-12(16)5-9)15(20)19-14-3-2-10(8-18)6-13(14)17/h2-7H,1H3,(H,19,20)
InChIKeyUQWMHDRBOJMFIN-UHFFFAOYSA-N
MW394.07 g/mol
LogP4.64
Rot. Bonds2

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

3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide (PubChem CID 104852225) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
PubChem CID104852225
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(C#N)cc2Br)c1
InChIInChI=1S/C15H10Br2N2O/c1-9-4-11(7-12(16)5-9)15(20)19-14-3-2-10(8-18)6-13(14)17/h2-7H,1H3,(H,19,20)
InChIKeyUQWMHDRBOJMFIN-UHFFFAOYSA-N
XLogP4.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-cyano-2-fluorophenyl)-5-methylbenzamide
CID 104851539
3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
CID 113460579
N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
CID 107971053
N-(2-bromo-4-cyanophenyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 107793713
N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 107793985
3-bromo-N-(3,4-dicyanophenyl)-5-methylbenzamide
CID 104854750
2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide
CID 107793724
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
CID 61259361

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide (CID 104852225) is 3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2ccc(C#N)cc2Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide?
The InChIKey is UQWMHDRBOJMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c1-9-4-11(7-12(16)5-9)15(20)19-14-3-2-10(8-18)6-13(14)17/h2-7H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide?
3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide has a molecular weight of 394.07 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide is sourced from PubChem (CID 104852225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).