N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide

C13H14F2N2OS — CID 61119914

IUPACN-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide
SMILESNC(=S)C1(NC(=O)c2cc(F)cc(F)c2)CCCC1
InChIInChI=1S/C13H14F2N2OS/c14-9-5-8(6-10(15)7-9)11(18)17-13(12(16)19)3-1-2-4-13/h5-7H,1-4H2,(H2,16,19)(H,17,18)
InChIKeyYZPGJSDASKZOJQ-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.29
Rot. Bonds3

About N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide

N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide (PubChem CID 61119914) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide
PubChem CID61119914
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC NameN-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide
SMILESNC(=S)C1(NC(=O)c2cc(F)cc(F)c2)CCCC1
InChIInChI=1S/C13H14F2N2OS/c14-9-5-8(6-10(15)7-9)11(18)17-13(12(16)19)3-1-2-4-13/h5-7H,1-4H2,(H2,16,19)(H,17,18)
InChIKeyYZPGJSDASKZOJQ-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.29
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-carbamothioylcycloheptyl)-3-fluorobenzamide
CID 61119189
N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
CID 61119919
1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 65450763
N-(1-carbamothioylcyclopentyl)-2,3,4-trifluorobenzamide
CID 79749223
N-(1-carbamothioylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 79693305
N-(1-carbamothioylcyclohexyl)-4-chloro-2,5-difluorobenzamide
CID 82772161
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
N-(1-carbamothioylcyclohexyl)-2,4,6-trimethylbenzamide
CID 61119533
N-(1-carbamothioylcycloheptyl)-3-chloro-4-hydroxybenzamide
CID 61119183
1-(1-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 61123214
N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide
CID 104785855
N-(1-carbamothioylcyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883138

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide (CID 61119914) is N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide is NC(=S)C1(NC(=O)c2cc(F)cc(F)c2)CCCC1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide?
The InChIKey is YZPGJSDASKZOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c14-9-5-8(6-10(15)7-9)11(18)17-13(12(16)19)3-1-2-4-13/h5-7H,1-4H2,(H2,16,19)(H,17,18).
What are the key properties of N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide?
N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide has a molecular weight of 284.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide is sourced from PubChem (CID 61119914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).