2-fluoro-N-(5-methylsulfanylpentyl)benzamide

C13H18FNOS — CID 104920148

IUPAC2-fluoro-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1ccccc1F
InChIInChI=1S/C13H18FNOS/c1-17-10-6-2-5-9-15-13(16)11-7-3-4-8-12(11)14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyZARKUQWBFRPQGD-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.09
Rot. Bonds7

About 2-fluoro-N-(5-methylsulfanylpentyl)benzamide

2-fluoro-N-(5-methylsulfanylpentyl)benzamide (PubChem CID 104920148) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-fluoro-N-(5-methylsulfanylpentyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-methylsulfanylpentyl)benzamide
PubChem CID104920148
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name2-fluoro-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1ccccc1F
InChIInChI=1S/C13H18FNOS/c1-17-10-6-2-5-9-15-13(16)11-7-3-4-8-12(11)14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyZARKUQWBFRPQGD-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.09
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

2-(4-methylsulfanylbutylcarbamoyl)benzoic acid
CID 113487285
2-fluoro-N-(5-methylsulfanylpentyl)-5-sulfanylbenzamide
CID 114129326
5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide
CID 113487135
4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920099
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588
5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980674
4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672
bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
CID 2203617
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-methylsulfanylpentyl)benzamide?
The IUPAC name of 2-fluoro-N-(5-methylsulfanylpentyl)benzamide (CID 104920148) is 2-fluoro-N-(5-methylsulfanylpentyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(5-methylsulfanylpentyl)benzamide?
The canonical SMILES for 2-fluoro-N-(5-methylsulfanylpentyl)benzamide is CSCCCCCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(5-methylsulfanylpentyl)benzamide?
The InChIKey is ZARKUQWBFRPQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-17-10-6-2-5-9-15-13(16)11-7-3-4-8-12(11)14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-N-(5-methylsulfanylpentyl)benzamide?
2-fluoro-N-(5-methylsulfanylpentyl)benzamide has a molecular weight of 255.36 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-methylsulfanylpentyl)benzamide is sourced from PubChem (CID 104920148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).