N-(cyclohexylcarbamothioyl)-4-fluorobenzamide

C14H17FN2OS — CID 880333

IUPACN-(cyclohexylcarbamothioyl)-4-fluorobenzamide
SMILESO=C(NC(=S)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2OS/c15-11-8-6-10(7-9-11)13(18)17-14(19)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,16,17,18,19)
InChIKeyTXWIYDMNDCSTQH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.76
Rot. Bonds2

About N-(cyclohexylcarbamothioyl)-4-fluorobenzamide

N-(cyclohexylcarbamothioyl)-4-fluorobenzamide (PubChem CID 880333) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(cyclohexylcarbamothioyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamothioyl)-4-fluorobenzamide
PubChem CID880333
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-(cyclohexylcarbamothioyl)-4-fluorobenzamide
SMILESO=C(NC(=S)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2OS/c15-11-8-6-10(7-9-11)13(18)17-14(19)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,16,17,18,19)
InChIKeyTXWIYDMNDCSTQH-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamothioyl)-4-fluorobenzamide?
The IUPAC name of N-(cyclohexylcarbamothioyl)-4-fluorobenzamide (CID 880333) is N-(cyclohexylcarbamothioyl)-4-fluorobenzamide.
What is the SMILES notation for N-(cyclohexylcarbamothioyl)-4-fluorobenzamide?
The canonical SMILES for N-(cyclohexylcarbamothioyl)-4-fluorobenzamide is O=C(NC(=S)NC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-(cyclohexylcarbamothioyl)-4-fluorobenzamide?
The InChIKey is TXWIYDMNDCSTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c15-11-8-6-10(7-9-11)13(18)17-14(19)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,16,17,18,19).
What are the key properties of N-(cyclohexylcarbamothioyl)-4-fluorobenzamide?
N-(cyclohexylcarbamothioyl)-4-fluorobenzamide has a molecular weight of 280.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamothioyl)-4-fluorobenzamide is sourced from PubChem (CID 880333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).