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

C15H14BrFN2O — CID 62509154

IUPACN-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9-3-5-13(18-2)11(7-9)15(20)19-14-6-4-10(17)8-12(14)16/h3-8,18H,1-2H3,(H,19,20)
InChIKeyXLUBXWCSYUKBHN-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.19
Rot. Bonds3

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

N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide (PubChem CID 62509154) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
PubChem CID62509154
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9-3-5-13(18-2)11(7-9)15(20)19-14-6-4-10(17)8-12(14)16/h3-8,18H,1-2H3,(H,19,20)
InChIKeyXLUBXWCSYUKBHN-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
N-(3-fluoro-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 79046553
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62809031
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62509130
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019
N-(2-bromo-4-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671523
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205741
N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 107578496

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide (CID 62509154) is N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide is CNc1ccc(C)cc1C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide?
The InChIKey is XLUBXWCSYUKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9-3-5-13(18-2)11(7-9)15(20)19-14-6-4-10(17)8-12(14)16/h3-8,18H,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide?
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide has a molecular weight of 337.19 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 62509154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).