2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide

C17H17FN2OS — CID 833904

IUPAC2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide
SMILESCC(C)c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H17FN2OS/c1-11(2)12-7-9-13(10-8-12)19-17(22)20-16(21)14-5-3-4-6-15(14)18/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyVVFCENGNLFHROP-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.08
Rot. Bonds3

About 2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide

2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide (PubChem CID 833904) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide
PubChem CID833904
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Name2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide
SMILESCC(C)c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H17FN2OS/c1-11(2)12-7-9-13(10-8-12)19-17(22)20-16(21)14-5-3-4-6-15(14)18/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyVVFCENGNLFHROP-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.08
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

2-fluoro-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 1298874
4-[(2-fluorobenzoyl)carbamothioylamino]benzoate
CID 7316472
N-[(3,4-dimethylphenyl)carbamothioyl]-2-fluorobenzamide
CID 881377
2-fluoro-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 4958343
N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 17177592
2-fluoro-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 21234816
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-fluorobenzamide
CID 888685
N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluorobenzamide
CID 5272227
N-[(4-aminophenyl)carbamothioyl]-4-propan-2-ylbenzamide;hydrochloride
CID 88531052
3,5-dimethyl-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide
CID 918770
2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide
CID 17161957
N-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-fluorobenzamide
CID 17199235

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide (CID 833904) is 2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide is CC(C)c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide?
The InChIKey is VVFCENGNLFHROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2OS/c1-11(2)12-7-9-13(10-8-12)19-17(22)20-16(21)14-5-3-4-6-15(14)18/h3-11H,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide?
2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide has a molecular weight of 316.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 833904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).