4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide

C18H13FN2OS — CID 815847

IUPAC4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS/c19-15-8-5-13(6-9-15)17(22)21-18(23)20-16-10-7-12-3-1-2-4-14(12)11-16/h1-11H,(H2,20,21,22,23)
InChIKeyVZFHWOBDULSTBL-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.11
Rot. Bonds2

About 4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide

4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide (PubChem CID 815847) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide
PubChem CID815847
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2OS/c19-15-8-5-13(6-9-15)17(22)21-18(23)20-16-10-7-12-3-1-2-4-14(12)11-16/h1-11H,(H2,20,21,22,23)
InChIKeyVZFHWOBDULSTBL-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.11
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

3-(benzoylcarbamothioylamino)-N-(4-fluorophenyl)benzamide
CID 26159726
N-[(3-acetylphenyl)carbamothioyl]-4-fluorobenzamide
CID 2897228
N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide
CID 17232208
4-fluoro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1231329
2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide
CID 961000
2-[4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]acetic acid
CID 28687471
3-chloro-N-[4-[(4-fluorobenzoyl)carbamothioylamino]phenyl]benzamide
CID 4629756
4-fluoro-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067103
4-[(4-fluorobenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 17231504
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-4-fluorobenzamide
CID 3503580
N-(naphthalen-2-ylcarbamothioyl)-3-phenylmethoxybenzamide
CID 22775965
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamothioyl]-4-fluorobenzamide
CID 141254802

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide?
The IUPAC name of 4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide (CID 815847) is 4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide?
The canonical SMILES for 4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide?
The InChIKey is VZFHWOBDULSTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-15-8-5-13(6-9-15)17(22)21-18(23)20-16-10-7-12-3-1-2-4-14(12)11-16/h1-11H,(H2,20,21,22,23).
What are the key properties of 4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide?
4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide has a molecular weight of 324.38 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(naphthalen-2-ylcarbamothioyl)benzamide is sourced from PubChem (CID 815847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).