3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide

C12H16FNOS — CID 122142996

IUPAC3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C12H16FNOS/c1-9-6-10(8-11(13)7-9)12(15)14-4-3-5-16-2/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyNCPTXBZBUOBOQB-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.62
Rot. Bonds5

About 3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide

3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide (PubChem CID 122142996) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide
PubChem CID122142996
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C12H16FNOS/c1-9-6-10(8-11(13)7-9)12(15)14-4-3-5-16-2/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyNCPTXBZBUOBOQB-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
CID 106153590
N-(4-azidobutyl)-3-fluoro-5-methylbenzamide
CID 106386517
N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
CID 119504618
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
3,5-difluoro-N-[3-(methylamino)propyl]benzamide
CID 43600831
N-butyl-3,5-dimethylbenzamide
CID 17190927
2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63983038
4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
CID 113412198
4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920099
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819
3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114618286

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide (CID 122142996) is 3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide is CSCCCNC(=O)c1cc(C)cc(F)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide?
The InChIKey is NCPTXBZBUOBOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-9-6-10(8-11(13)7-9)12(15)14-4-3-5-16-2/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide?
3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide has a molecular weight of 241.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 122142996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).