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

C14H17BrFNOS — CID 103709559

IUPAC5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
SMILESCCSC1CCC(NC(=O)c2cc(Br)ccc2F)C1
InChIInChI=1S/C14H17BrFNOS/c1-2-19-11-5-4-10(8-11)17-14(18)12-7-9(15)3-6-13(12)16/h3,6-7,10-11H,2,4-5,8H2,1H3,(H,17,18)
InChIKeyNVCDSCZGCSEFSS-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.99
Rot. Bonds4

About 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide

5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide (PubChem CID 103709559) has the molecular formula C14H17BrFNOS and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
PubChem CID103709559
Molecular FormulaC14H17BrFNOS
Molecular Weight346.27 g/mol
Exact Mass345.02
IUPAC Name5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
SMILESCCSC1CCC(NC(=O)c2cc(Br)ccc2F)C1
InChIInChI=1S/C14H17BrFNOS/c1-2-19-11-5-4-10(8-11)17-14(18)12-7-9(15)3-6-13(12)16/h3,6-7,10-11H,2,4-5,8H2,1H3,(H,17,18)
InChIKeyNVCDSCZGCSEFSS-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

Analyze 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide 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

N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709498
3-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 106544630
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide
CID 114124045
N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
CID 113245262
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
CID 106812168
5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
CID 155293429
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767098
5-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 113407761

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide (CID 103709559) is 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide is CCSC1CCC(NC(=O)c2cc(Br)ccc2F)C1.
What is the InChIKey of 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The InChIKey is NVCDSCZGCSEFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNOS/c1-2-19-11-5-4-10(8-11)17-14(18)12-7-9(15)3-6-13(12)16/h3,6-7,10-11H,2,4-5,8H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
5-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 5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide is sourced from PubChem (CID 103709559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).