4-fluoro-N-(methylcarbamothioyl)benzamide

C9H9FN2OS — CID 4948510

IUPAC4-fluoro-N-(methylcarbamothioyl)benzamide
SMILESCNC(=S)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FN2OS/c1-11-9(14)12-8(13)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyNVSUENZKFULUDL-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.06
Rot. Bonds1

About 4-fluoro-N-(methylcarbamothioyl)benzamide

4-fluoro-N-(methylcarbamothioyl)benzamide (PubChem CID 4948510) has the molecular formula C9H9FN2OS and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-fluoro-N-(methylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(methylcarbamothioyl)benzamide
PubChem CID4948510
Molecular FormulaC9H9FN2OS
Molecular Weight212.25 g/mol
Exact Mass212.04
IUPAC Name4-fluoro-N-(methylcarbamothioyl)benzamide
SMILESCNC(=S)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FN2OS/c1-11-9(14)12-8(13)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyNVSUENZKFULUDL-UHFFFAOYSA-N
XLogP1.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.06
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

4-chloro-N-(methylcarbamothioyl)benzamide
CID 4948495
N-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamothioyl]-4-fluorobenzamide
CID 40532455
4-[(4-fluorobenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 17231504
N-[(3-acetylphenyl)carbamothioyl]-4-fluorobenzamide
CID 2897228
N-(methylcarbamothioyl)-4-propoxybenzamide
CID 3665751
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
ethyl 2-[(4-fluorobenzoyl)carbamothioylamino]propanoate
CID 19166851
N-(dimethylcarbamoyl)-4-fluorobenzamide
CID 134890610
4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 2281952
4-tert-butyl-N-[4-[[(4-fluorobenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide
CID 5088860
2-[(4-fluorobenzoyl)carbamothioylamino]benzamide
CID 2245625
N-[[(4-fluorobenzoyl)amino]carbamothioyl]-2,6-dimethylbenzamide
CID 154190201

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(methylcarbamothioyl)benzamide?
The IUPAC name of 4-fluoro-N-(methylcarbamothioyl)benzamide (CID 4948510) is 4-fluoro-N-(methylcarbamothioyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(methylcarbamothioyl)benzamide?
The canonical SMILES for 4-fluoro-N-(methylcarbamothioyl)benzamide is CNC(=S)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(methylcarbamothioyl)benzamide?
The InChIKey is NVSUENZKFULUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2OS/c1-11-9(14)12-8(13)6-2-4-7(10)5-3-6/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of 4-fluoro-N-(methylcarbamothioyl)benzamide?
4-fluoro-N-(methylcarbamothioyl)benzamide has a molecular weight of 212.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(methylcarbamothioyl)benzamide is sourced from PubChem (CID 4948510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).