3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide

C12H16F2N2OS — CID 113478500

IUPAC3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
SMILESCSC(C)(C)CNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C12H16F2N2OS/c1-12(2,18-3)6-16-11(17)9-7(13)4-5-8(15)10(9)14/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyXZMPKNQZVAUTQD-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.42
Rot. Bonds4

About 3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide

3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide (PubChem CID 113478500) has the molecular formula C12H16F2N2OS and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
PubChem CID113478500
Molecular FormulaC12H16F2N2OS
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
SMILESCSC(C)(C)CNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C12H16F2N2OS/c1-12(2,18-3)6-16-11(17)9-7(13)4-5-8(15)10(9)14/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyXZMPKNQZVAUTQD-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289252
2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478497
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
CID 83202374
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967
3-amino-2,6-difluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 79772754
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
CID 107814586
3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
CID 79773809
3-amino-2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 79773667

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide (CID 113478500) is 3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide is CSC(C)(C)CNC(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The InChIKey is XZMPKNQZVAUTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2OS/c1-12(2,18-3)6-16-11(17)9-7(13)4-5-8(15)10(9)14/h4-5H,6,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide has a molecular weight of 274.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 113478500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).