2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide

C15H10F4N2OS — CID 24899391

IUPAC2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(NC(=S)NC(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H10F4N2OS/c1-7-2-4-8(5-3-7)20-15(23)21-14(22)9-6-10(16)12(18)13(19)11(9)17/h2-6H,1H3,(H2,20,21,22,23)
InChIKeyJSKWCDOVWIMEPZ-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.68
Rot. Bonds2

About 2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide

2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide (PubChem CID 24899391) has the molecular formula C15H10F4N2OS and a molecular weight of 342.32 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide
PubChem CID24899391
Molecular FormulaC15H10F4N2OS
Molecular Weight342.32 g/mol
Exact Mass342.04
IUPAC Name2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide
SMILESCc1ccc(NC(=S)NC(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C15H10F4N2OS/c1-7-2-4-8(5-3-7)20-15(23)21-14(22)9-6-10(16)12(18)13(19)11(9)17/h2-6H,1H3,(H2,20,21,22,23)
InChIKeyJSKWCDOVWIMEPZ-UHFFFAOYSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 3528413
2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
CID 3448469
N-[(4-fluorophenyl)carbamothioyl]-5-methyl-2-nitrobenzamide
CID 2796576
N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide
CID 909226
N-[(3,4-dimethylphenyl)carbamothioyl]-2-fluorobenzamide
CID 881377
N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 170144431
N-[(4-aminophenyl)carbamothioyl]-4-methylbenzamide
CID 87562968
N-[(4-carbamoylphenyl)carbamothioyl]-4-methylbenzamide
CID 909235
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 4094580
N-[(4-chlorophenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918716
1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea
CID 53488583
5-bromo-2-(2-methoxyethoxy)-N-[(4-methylphenyl)carbamothioyl]benzamide
CID 17357499

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide (CID 24899391) is 2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide is Cc1ccc(NC(=S)NC(=O)c2cc(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide?
The InChIKey is JSKWCDOVWIMEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2OS/c1-7-2-4-8(5-3-7)20-15(23)21-14(22)9-6-10(16)12(18)13(19)11(9)17/h2-6H,1H3,(H2,20,21,22,23).
What are the key properties of 2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide?
2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide has a molecular weight of 342.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 24899391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).