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

C17H19BrN2O — CID 62510325

IUPACN-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C17H19BrN2O/c1-10-5-6-15(19-4)14(7-10)17(21)20-16-11(2)8-13(18)9-12(16)3/h5-9,19H,1-4H3,(H,20,21)
InChIKeyCBIBKWJZGNQSSE-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.67
Rot. Bonds3

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

N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide (PubChem CID 62510325) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide
PubChem CID62510325
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C17H19BrN2O/c1-10-5-6-15(19-4)14(7-10)17(21)20-16-11(2)8-13(18)9-12(16)3/h5-9,19H,1-4H3,(H,20,21)
InChIKeyCBIBKWJZGNQSSE-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511408
N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62509130
N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 107578496
N-(2-bromo-4,6-difluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62510189
N-(2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
CID 65499464
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
N-(3-fluoro-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 79046553
N-(2-amino-4-bromo-6-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 43549991
5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62809031
N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511235
N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide
CID 62504551
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide (CID 62510325) is N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide is CNc1ccc(C)cc1C(=O)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide?
The InChIKey is CBIBKWJZGNQSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-10-5-6-15(19-4)14(7-10)17(21)20-16-11(2)8-13(18)9-12(16)3/h5-9,19H,1-4H3,(H,20,21).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide?
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide has a molecular weight of 347.26 g/mol, XLogP of 4.67, 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-dimethylphenyl)-5-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 62510325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).