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

C15H13BrClNO — CID 113460644

IUPAC3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H13BrClNO/c1-9-5-11(8-12(16)6-9)15(19)18-14-4-3-13(17)7-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyURFJFENKTSBJJZ-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.97
Rot. Bonds2

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

3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide (PubChem CID 113460644) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
PubChem CID113460644
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H13BrClNO/c1-9-5-11(8-12(16)6-9)15(19)18-14-4-3-13(17)7-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyURFJFENKTSBJJZ-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

3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
3-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 104851591
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112699952
3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 104853246
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methylphenyl]-2-methylphenyl]-3,5-dimethylbenzamide
CID 3343453
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide (CID 113460644) is 3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of 3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide?
The InChIKey is URFJFENKTSBJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-9-5-11(8-12(16)6-9)15(19)18-14-4-3-13(17)7-10(14)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide?
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide 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 3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide is sourced from PubChem (CID 113460644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).