N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide

C15H10BrClN2O — CID 104723758

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cccc(C#N)c2)cc1Cl
InChIInChI=1S/C15H10BrClN2O/c1-9-5-12(16)14(7-13(9)17)19-15(20)11-4-2-3-10(6-11)8-18/h2-7H,1H3,(H,19,20)
InChIKeyZOBXXUSPTZVASL-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.53
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide

N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide (PubChem CID 104723758) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide
PubChem CID104723758
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide
SMILESCc1cc(Br)c(NC(=O)c2cccc(C#N)c2)cc1Cl
InChIInChI=1S/C15H10BrClN2O/c1-9-5-12(16)14(7-13(9)17)19-15(20)11-4-2-3-10(6-11)8-18/h2-7H,1H3,(H,19,20)
InChIKeyZOBXXUSPTZVASL-UHFFFAOYSA-N
XLogP4.53
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
3-(2-bromo-5-chloro-4-methylanilino)benzonitrile
CID 102817277
N-(5-acetyl-2-chlorophenyl)-3-cyanobenzamide
CID 108808709
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide (CID 104723758) is N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide is Cc1cc(Br)c(NC(=O)c2cccc(C#N)c2)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide?
The InChIKey is ZOBXXUSPTZVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c1-9-5-12(16)14(7-13(9)17)19-15(20)11-4-2-3-10(6-11)8-18/h2-7H,1H3,(H,19,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide?
N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide has a molecular weight of 349.62 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide is sourced from PubChem (CID 104723758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).