2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide

C12H17FN2OS — CID 113478497

IUPAC2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
SMILESCSC(C)(C)CNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H17FN2OS/c1-12(2,17-3)7-15-11(16)9-6-8(13)4-5-10(9)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyUCYNVFKOJZMKQQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.28
Rot. Bonds4

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

2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide (PubChem CID 113478497) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
PubChem CID113478497
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
SMILESCSC(C)(C)CNC(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H17FN2OS/c1-12(2,17-3)7-15-11(16)9-6-8(13)4-5-10(9)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyUCYNVFKOJZMKQQ-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.28
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

2-amino-N-[2-(dimethylamino)-2-methylpropyl]-5-fluorobenzamide
CID 54979124
3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478500
2-amino-N-tert-butyl-5-fluorobenzamide
CID 43132548
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106179911
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
CID 63110068
2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692
2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide
CID 106854343
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
2-amino-5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117687
N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide
CID 103709318

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide (CID 113478497) is 2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide is CSC(C)(C)CNC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The InChIKey is UCYNVFKOJZMKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-12(2,17-3)7-15-11(16)9-6-8(13)4-5-10(9)14/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide has a molecular weight of 256.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 113478497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).