5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide

C11H14BrFN2O2S — CID 113483959

IUPAC5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(N)c(F)cc1Br)S(C)=O
InChIInChI=1S/C11H14BrFN2O2S/c1-6(18(2)17)5-15-11(16)7-3-10(14)9(13)4-8(7)12/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyIDFXSOOCESSVPQ-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.67
Rot. Bonds4

About 5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide

5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide (PubChem CID 113483959) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide
PubChem CID113483959
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide
SMILESCC(CNC(=O)c1cc(N)c(F)cc1Br)S(C)=O
InChIInChI=1S/C11H14BrFN2O2S/c1-6(18(2)17)5-15-11(16)7-3-10(14)9(13)4-8(7)12/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyIDFXSOOCESSVPQ-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.67
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

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CID 62815767
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5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992397
5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide
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N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide
CID 115764551
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66181038
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098
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CID 55118572

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide (CID 113483959) is 5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide is CC(CNC(=O)c1cc(N)c(F)cc1Br)S(C)=O.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide?
The InChIKey is IDFXSOOCESSVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c1-6(18(2)17)5-15-11(16)7-3-10(14)9(13)4-8(7)12/h3-4,6H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide?
5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide has a molecular weight of 337.21 g/mol, XLogP of 1.67, 4 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-methylsulfinylpropyl)benzamide is sourced from PubChem (CID 113483959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).