5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide

C12H16BrFN2OS — CID 63981550

IUPAC5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)CNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C12H16BrFN2OS/c1-7(6-18-2)5-16-12(17)8-3-11(15)10(14)4-9(8)13/h3-4,7H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyDONOMCZSUBFVOU-UHFFFAOYSA-N
MW335.24 g/mol
LogP2.90
Rot. Bonds5

About 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide

5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide (PubChem CID 63981550) has the molecular formula C12H16BrFN2OS and a molecular weight of 335.24 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
PubChem CID63981550
Molecular FormulaC12H16BrFN2OS
Molecular Weight335.24 g/mol
Exact Mass334.02
IUPAC Name5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)CNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C12H16BrFN2OS/c1-7(6-18-2)5-16-12(17)8-3-11(15)10(14)4-9(8)13/h3-4,7H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyDONOMCZSUBFVOU-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992397
5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide
CID 113483959
5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 102705609
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66092192
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63962308
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66181038
2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63983695
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide (CID 63981550) is 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide is CSCC(C)CNC(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The InChIKey is DONOMCZSUBFVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2OS/c1-7(6-18-2)5-16-12(17)8-3-11(15)10(14)4-9(8)13/h3-4,7H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide has a molecular weight of 335.24 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 63981550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).