N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide

C13H14ClFN2OS — CID 55151966

IUPACN-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide
SMILESNC(=S)C1CCCC1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2OS/c14-8-4-2-5-9(15)11(8)13(18)17-10-6-1-3-7(10)12(16)19/h2,4-5,7,10H,1,3,6H2,(H2,16,19)(H,17,18)
InChIKeyWGIADCYRXREFJY-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.66
Rot. Bonds3

About N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide

N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide (PubChem CID 55151966) has the molecular formula C13H14ClFN2OS and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide
PubChem CID55151966
Molecular FormulaC13H14ClFN2OS
Molecular Weight300.79 g/mol
Exact Mass300.05
IUPAC NameN-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide
SMILESNC(=S)C1CCCC1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2OS/c14-8-4-2-5-9(15)11(8)13(18)17-10-6-1-3-7(10)12(16)19/h2,4-5,7,10H,1,3,6H2,(H2,16,19)(H,17,18)
InChIKeyWGIADCYRXREFJY-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.66
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

N-(2-carbamothioylcyclopentyl)-2,6-dichlorobenzamide
CID 62956929
2-bromo-N-(2-carbamothioylcyclopentyl)-6-fluorobenzamide
CID 114559262
N-(2-carbamothioylcyclopentyl)-4-chloro-3-fluorobenzamide
CID 107987795
2-chloro-6-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106364539
N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide
CID 62956397
2-chloro-N-[2-[(dimethylamino)methyl]cyclohexyl]-6-fluorobenzamide
CID 110279243
3-bromo-N-(2-carbamothioylcyclopentyl)-2-fluorobenzamide
CID 107951219
N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
CID 55152154
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide
CID 115301115

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide (CID 55151966) is N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide is NC(=S)C1CCCC1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide?
The InChIKey is WGIADCYRXREFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2OS/c14-8-4-2-5-9(15)11(8)13(18)17-10-6-1-3-7(10)12(16)19/h2,4-5,7,10H,1,3,6H2,(H2,16,19)(H,17,18).
What are the key properties of N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide?
N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide has a molecular weight of 300.79 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 55151966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).