N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide

C14H18FNOS — CID 103709498

IUPACN-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
SMILESCCSC1CCC(NC(=O)c2ccccc2F)C1
InChIInChI=1S/C14H18FNOS/c1-2-18-11-8-7-10(9-11)16-14(17)12-5-3-4-6-13(12)15/h3-6,10-11H,2,7-9H2,1H3,(H,16,17)
InChIKeyZXKNCMLHQNVQMP-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.23
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide

N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide (PubChem CID 103709498) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
PubChem CID103709498
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
SMILESCCSC1CCC(NC(=O)c2ccccc2F)C1
InChIInChI=1S/C14H18FNOS/c1-2-18-11-8-7-10(9-11)16-14(17)12-5-3-4-6-13(12)15/h3-6,10-11H,2,7-9H2,1H3,(H,16,17)
InChIKeyZXKNCMLHQNVQMP-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709559
3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 106544630
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
CID 119945966
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride
CID 119945965
2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
CID 106812168
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64724976
1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 110007137
6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555
N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide (CID 103709498) is N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide is CCSC1CCC(NC(=O)c2ccccc2F)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The InChIKey is ZXKNCMLHQNVQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-2-18-11-8-7-10(9-11)16-14(17)12-5-3-4-6-13(12)15/h3-6,10-11H,2,7-9H2,1H3,(H,16,17).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide has a molecular weight of 267.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide is sourced from PubChem (CID 103709498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).