N-(cyclohexylcarbamothioyl)-2-fluorobenzamide

C14H17FN2OS — CID 4950383

IUPACN-(cyclohexylcarbamothioyl)-2-fluorobenzamide
SMILESO=C(NC(=S)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C14H17FN2OS/c15-12-9-5-4-8-11(12)13(18)17-14(19)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,16,17,18,19)
InChIKeyGLPRTXDFGRTSQS-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.76
Rot. Bonds2

About N-(cyclohexylcarbamothioyl)-2-fluorobenzamide

N-(cyclohexylcarbamothioyl)-2-fluorobenzamide (PubChem CID 4950383) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(cyclohexylcarbamothioyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamothioyl)-2-fluorobenzamide
PubChem CID4950383
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-(cyclohexylcarbamothioyl)-2-fluorobenzamide
SMILESO=C(NC(=S)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C14H17FN2OS/c15-12-9-5-4-8-11(12)13(18)17-14(19)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,16,17,18,19)
InChIKeyGLPRTXDFGRTSQS-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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Related Compounds

N-(2-adamantylcarbamothioyl)-2-fluorobenzamide
CID 969112
N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide
CID 17123003
1-cyclooctyl-3-(2,6-difluorophenyl)thiourea
CID 100663552
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075647
4-chloro-N-(cyclopentylcarbamothioyl)benzamide
CID 4922300
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 111075646
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
(cyclohexylamino) 2-fluorobenzoate
CID 144857629
2-[(4-chlorobenzoyl)carbamothioylamino]-N-cyclohexylbenzamide
CID 1015644
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamothioyl)-2-fluorobenzamide?
The IUPAC name of N-(cyclohexylcarbamothioyl)-2-fluorobenzamide (CID 4950383) is N-(cyclohexylcarbamothioyl)-2-fluorobenzamide.
What is the SMILES notation for N-(cyclohexylcarbamothioyl)-2-fluorobenzamide?
The canonical SMILES for N-(cyclohexylcarbamothioyl)-2-fluorobenzamide is O=C(NC(=S)NC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-(cyclohexylcarbamothioyl)-2-fluorobenzamide?
The InChIKey is GLPRTXDFGRTSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c15-12-9-5-4-8-11(12)13(18)17-14(19)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,16,17,18,19).
What are the key properties of N-(cyclohexylcarbamothioyl)-2-fluorobenzamide?
N-(cyclohexylcarbamothioyl)-2-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)-2-fluorobenzamide is sourced from PubChem (CID 4950383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).