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

C14H17BrFNOS — CID 106544630

IUPAC3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
SMILESCCSC1CCC(NC(=O)c2cccc(Br)c2F)C1
InChIInChI=1S/C14H17BrFNOS/c1-2-19-10-7-6-9(8-10)17-14(18)11-4-3-5-12(15)13(11)16/h3-5,9-10H,2,6-8H2,1H3,(H,17,18)
InChIKeyUJXJMFGRCJRLRW-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.99
Rot. Bonds4

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

3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide (PubChem CID 106544630) has the molecular formula C14H17BrFNOS and a molecular weight of 346.27 g/mol. Its IUPAC name is 3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
PubChem CID106544630
Molecular FormulaC14H17BrFNOS
Molecular Weight346.27 g/mol
Exact Mass345.02
IUPAC Name3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
SMILESCCSC1CCC(NC(=O)c2cccc(Br)c2F)C1
InChIInChI=1S/C14H17BrFNOS/c1-2-19-10-7-6-9(8-10)17-14(18)11-4-3-5-12(15)13(11)16/h3-5,9-10H,2,6-8H2,1H3,(H,17,18)
InChIKeyUJXJMFGRCJRLRW-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709498
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709559
N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
CID 113245262
3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 106544991
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
CID 119945966
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride
CID 119945965
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
CID 106812168
3-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]-2-fluorobenzamide
CID 106547636
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide
CID 114124045
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide (CID 106544630) is 3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide is CCSC1CCC(NC(=O)c2cccc(Br)c2F)C1.
What is the InChIKey of 3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The InChIKey is UJXJMFGRCJRLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNOS/c1-2-19-10-7-6-9(8-10)17-14(18)11-4-3-5-12(15)13(11)16/h3-5,9-10H,2,6-8H2,1H3,(H,17,18).
What are the key properties of 3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide has a molecular weight of 346.27 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide is sourced from PubChem (CID 106544630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).