N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide

C15H13BrClNO — CID 81028266

IUPACN-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2Br)c(C)c1
InChIInChI=1S/C15H13BrClNO/c1-9-3-5-12(10(2)7-9)15(19)18-14-6-4-11(17)8-13(14)16/h3-8H,1-2H3,(H,18,19)
InChIKeyLVXMVAZIRGEVKT-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.97
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide

N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide (PubChem CID 81028266) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
PubChem CID81028266
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2Br)c(C)c1
InChIInChI=1S/C15H13BrClNO/c1-9-3-5-12(10(2)7-9)15(19)18-14-6-4-11(17)8-13(14)16/h3-8H,1-2H3,(H,18,19)
InChIKeyLVXMVAZIRGEVKT-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
5-amino-N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 102705790
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
N-(2-bromo-4-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 115703975
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511860
N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81024100
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
3-bromo-4-[(2-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107986722
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide (CID 81028266) is N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2Br)c(C)c1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide?
The InChIKey is LVXMVAZIRGEVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-9-3-5-12(10(2)7-9)15(19)18-14-6-4-11(17)8-13(14)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide?
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide has a molecular weight of 338.63 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 81028266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).