5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide

C13H19FN2O2S — CID 106152505

IUPAC5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide
SMILESCSC(CO)C(C)NC(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C13H19FN2O2S/c1-7-4-9(15)5-10(12(7)14)13(18)16-8(2)11(6-17)19-3/h4-5,8,11,17H,6,15H2,1-3H3,(H,16,18)
InChIKeySVXXWRFXUDXKHA-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.56
Rot. Bonds5

About 5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide

5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide (PubChem CID 106152505) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide
PubChem CID106152505
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide
SMILESCSC(CO)C(C)NC(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C13H19FN2O2S/c1-7-4-9(15)5-10(12(7)14)13(18)16-8(2)11(6-17)19-3/h4-5,8,11,17H,6,15H2,1-3H3,(H,16,18)
InChIKeySVXXWRFXUDXKHA-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103867152
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,5-dimethylthiophene-3-carboxamide
CID 103798853
4,5-difluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 106155652
5-amino-N-(4-amino-4-oxobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 103296858
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methyl-5-sulfanylbenzamide
CID 114152245
4-chloro-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798690
5-bromo-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 113264436
3-amino-2-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150738
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 106152545
5-amino-N-(2,3-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103296542
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103801419
5-amino-2-fluoro-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281069

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide (CID 106152505) is 5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide is CSC(CO)C(C)NC(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide?
The InChIKey is SVXXWRFXUDXKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-7-4-9(15)5-10(12(7)14)13(18)16-8(2)11(6-17)19-3/h4-5,8,11,17H,6,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide?
5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide has a molecular weight of 286.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 106152505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).