N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide

C16H15BrClNO — CID 104724000

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(C)cc2Br)c(C)c1
InChIInChI=1S/C16H15BrClNO/c1-9-4-5-12(10(2)6-9)16(20)19-15-8-14(18)11(3)7-13(15)17/h4-8H,1-3H3,(H,19,20)
InChIKeyONJJOFHXYSWWKY-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.28
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide

N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide (PubChem CID 104724000) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
PubChem CID104724000
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(C)cc2Br)c(C)c1
InChIInChI=1S/C16H15BrClNO/c1-9-4-5-12(10(2)6-9)16(20)19-15-8-14(18)11(3)7-13(15)17/h4-8H,1-3H3,(H,19,20)
InChIKeyONJJOFHXYSWWKY-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzoic acid
CID 104724463
N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
CID 1287536
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide (CID 104724000) is N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc(Cl)c(C)cc2Br)c(C)c1.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide?
The InChIKey is ONJJOFHXYSWWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-9-4-5-12(10(2)6-9)16(20)19-15-8-14(18)11(3)7-13(15)17/h4-8H,1-3H3,(H,19,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide has a molecular weight of 352.66 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 104724000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).