N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide

C16H17BrN2O — CID 62509130

IUPACN-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H17BrN2O/c1-10-4-6-15(18-3)13(8-10)16(20)19-14-7-5-12(17)9-11(14)2/h4-9,18H,1-3H3,(H,19,20)
InChIKeyJCAFBJOUICAWSC-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.36
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide

N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide (PubChem CID 62509130) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
PubChem CID62509130
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H17BrN2O/c1-10-4-6-15(18-3)13(8-10)16(20)19-14-7-5-12(17)9-11(14)2/h4-9,18H,1-3H3,(H,19,20)
InChIKeyJCAFBJOUICAWSC-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62510325
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 107578496
N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511408
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
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-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649691
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide (CID 62509130) is N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide is CNc1ccc(C)cc1C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide?
The InChIKey is JCAFBJOUICAWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10-4-6-15(18-3)13(8-10)16(20)19-14-7-5-12(17)9-11(14)2/h4-9,18H,1-3H3,(H,19,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide?
N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide has a molecular weight of 333.23 g/mol, XLogP of 4.36, 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-methylphenyl)-5-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 62509130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).