2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide

C15H20FNOS — CID 114115942

IUPAC2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2ccccc2F)CCCCC1
InChIInChI=1S/C15H20FNOS/c1-19-15(9-5-2-6-10-15)11-17-14(18)12-7-3-4-8-13(12)16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyYPSPZIIXOWTUEU-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.62
Rot. Bonds4

About 2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide

2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide (PubChem CID 114115942) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide
PubChem CID114115942
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2ccccc2F)CCCCC1
InChIInChI=1S/C15H20FNOS/c1-19-15(9-5-2-6-10-15)11-17-14(18)12-7-3-4-8-13(12)16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeyYPSPZIIXOWTUEU-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]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

2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114116099
2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761726
1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide
CID 107299334
3-bromo-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271664
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
CID 114115857
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
2-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444105
N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 114117442
2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720519
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
2,6-difluoro-N-[(1-methylsulfanylcyclobutyl)methyl]-3-nitrobenzamide
CID 107299298

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide (CID 114115942) is 2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide is CSC1(CNC(=O)c2ccccc2F)CCCCC1.
What is the InChIKey of 2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide?
The InChIKey is YPSPZIIXOWTUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c1-19-15(9-5-2-6-10-15)11-17-14(18)12-7-3-4-8-13(12)16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide?
2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide has a molecular weight of 281.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 114115942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).