4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide

C15H22FNOS — CID 113412198

IUPAC4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
SMILESCSCCCCCCNC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C15H22FNOS/c1-12-11-13(7-8-14(12)16)15(18)17-9-5-3-4-6-10-19-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyRIEAFNFIYYUXJO-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.79
Rot. Bonds8

About 4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide

4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide (PubChem CID 113412198) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
PubChem CID113412198
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
SMILESCSCCCCCCNC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C15H22FNOS/c1-12-11-13(7-8-14(12)16)15(18)17-9-5-3-4-6-10-19-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyRIEAFNFIYYUXJO-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.79
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

4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159
N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
4-iodo-N-(5-methylsulfanylpentyl)benzamide
CID 104920149
4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920099
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
N-(4-amino-4-sulfanylidenebutyl)-4-fluoro-3-methylbenzamide
CID 63210296
2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635789
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044
2-fluoro-N-(5-methylsulfanylpentyl)-5-sulfanylbenzamide
CID 114129326

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide (CID 113412198) is 4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide is CSCCCCCCNC(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide?
The InChIKey is RIEAFNFIYYUXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-12-11-13(7-8-14(12)16)15(18)17-9-5-3-4-6-10-19-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of 4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide?
4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide has a molecular weight of 283.41 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide is sourced from PubChem (CID 113412198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).