N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide

C15H13BrCl2N2O — CID 62511408

IUPACN-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O/c1-8-3-4-13(19-2)10(5-8)15(21)20-14-11(17)6-9(16)7-12(14)18/h3-7,19H,1-2H3,(H,20,21)
InChIKeySGKOBKKZGGKOIA-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.36
Rot. Bonds3

About N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide

N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide (PubChem CID 62511408) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
PubChem CID62511408
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C15H13BrCl2N2O/c1-8-3-4-13(19-2)10(5-8)15(21)20-14-11(17)6-9(16)7-12(14)18/h3-7,19H,1-2H3,(H,20,21)
InChIKeySGKOBKKZGGKOIA-UHFFFAOYSA-N
XLogP5.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
CID 65499464
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62510325
N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 107578496
N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62509130
N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511235
N-(2-bromo-4,6-difluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62510189
N-(3-bromo-5-methylphenyl)-5-chloro-2-(methylamino)benzamide
CID 107578575
2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 62510533
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
N-(3-fluoro-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 79046553

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide (CID 62511408) is N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide is CNc1ccc(C)cc1C(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide?
The InChIKey is SGKOBKKZGGKOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c1-8-3-4-13(19-2)10(5-8)15(21)20-14-11(17)6-9(16)7-12(14)18/h3-7,19H,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide?
N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide has a molecular weight of 388.09 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 62511408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).