N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide

C13H14ClFN2OS — CID 61119919

IUPACN-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
SMILESNC(=S)C1(NC(=O)c2cc(Cl)ccc2F)CCCC1
InChIInChI=1S/C13H14ClFN2OS/c14-8-3-4-10(15)9(7-8)11(18)17-13(12(16)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,16,19)(H,17,18)
InChIKeyMYMYTQZLVIGSRK-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.81
Rot. Bonds3

About N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide

N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide (PubChem CID 61119919) has the molecular formula C13H14ClFN2OS and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
PubChem CID61119919
Molecular FormulaC13H14ClFN2OS
Molecular Weight300.79 g/mol
Exact Mass300.05
IUPAC NameN-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
SMILESNC(=S)C1(NC(=O)c2cc(Cl)ccc2F)CCCC1
InChIInChI=1S/C13H14ClFN2OS/c14-8-3-4-10(15)9(7-8)11(18)17-13(12(16)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,16,19)(H,17,18)
InChIKeyMYMYTQZLVIGSRK-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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-(1-carbamothioylcyclohexyl)-4-chloro-2,5-difluorobenzamide
CID 82772161
N-(1-carbamothioylcyclopentyl)-2,3,4-trifluorobenzamide
CID 79749223
N-(1-carbamoylcyclohexyl)-2,5-dichlorobenzamide
CID 78903583
4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide
CID 61118936
N-(1-carbamothioylcyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883138
N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide
CID 61119914
N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
CID 107722057
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662
N-(1-carbamothioylcycloheptyl)-3-fluorobenzamide
CID 61119189
N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
CID 61118938
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
N-(1-carbamothioylcycloheptyl)-3-chloro-4-hydroxybenzamide
CID 61119183

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide (CID 61119919) is N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide is NC(=S)C1(NC(=O)c2cc(Cl)ccc2F)CCCC1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide?
The InChIKey is MYMYTQZLVIGSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2OS/c14-8-3-4-10(15)9(7-8)11(18)17-13(12(16)19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,16,19)(H,17,18).
What are the key properties of N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide?
N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide has a molecular weight of 300.79 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 61119919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).