N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide

C13H15FN2OS — CID 62956397

IUPACN-(2-carbamothioylcyclopentyl)-3-fluorobenzamide
SMILESNC(=S)C1CCCC1NC(=O)c1cccc(F)c1
InChIInChI=1S/C13H15FN2OS/c14-9-4-1-3-8(7-9)13(17)16-11-6-2-5-10(11)12(15)18/h1,3-4,7,10-11H,2,5-6H2,(H2,15,18)(H,16,17)
InChIKeyKSTRVDUKOFDEJO-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.01
Rot. Bonds3

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

N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide (PubChem CID 62956397) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-3-fluorobenzamide
PubChem CID62956397
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC NameN-(2-carbamothioylcyclopentyl)-3-fluorobenzamide
SMILESNC(=S)C1CCCC1NC(=O)c1cccc(F)c1
InChIInChI=1S/C13H15FN2OS/c14-9-4-1-3-8(7-9)13(17)16-11-6-2-5-10(11)12(15)18/h1,3-4,7,10-11H,2,5-6H2,(H2,15,18)(H,16,17)
InChIKeyKSTRVDUKOFDEJO-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
N-(2-carbamothioylcyclopentyl)-4-chloro-3-fluorobenzamide
CID 107987795
N-(2-chlorocyclopentyl)-3-fluorobenzamide
CID 106443839
N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide
CID 55151966
2-bromo-N-(2-carbamothioylcyclopentyl)-6-fluorobenzamide
CID 114559262
N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839
3-bromo-N-(2-carbamothioylcyclopentyl)-2-fluorobenzamide
CID 107951219
N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide
CID 62956929
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
1-(2-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 62956599
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide (CID 62956397) is N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide is NC(=S)C1CCCC1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide?
The InChIKey is KSTRVDUKOFDEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c14-9-4-1-3-8(7-9)13(17)16-11-6-2-5-10(11)12(15)18/h1,3-4,7,10-11H,2,5-6H2,(H2,15,18)(H,16,17).
What are the key properties of N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide?
N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide has a molecular weight of 266.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide is sourced from PubChem (CID 62956397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).