2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide

C11H13FN2O2S — CID 17161957

IUPAC2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide
SMILESCC(O)CNC(=S)NC(=O)c1ccccc1F
InChIInChI=1S/C11H13FN2O2S/c1-7(15)6-13-11(17)14-10(16)8-4-2-3-5-9(8)12/h2-5,7,15H,6H2,1H3,(H2,13,14,16,17)
InChIKeyQXVNHEMNELXJNW-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.81
Rot. Bonds3

About 2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide

2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide (PubChem CID 17161957) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide
PubChem CID17161957
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC Name2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide
SMILESCC(O)CNC(=S)NC(=O)c1ccccc1F
InChIInChI=1S/C11H13FN2O2S/c1-7(15)6-13-11(17)14-10(16)8-4-2-3-5-9(8)12/h2-5,7,15H,6H2,1H3,(H2,13,14,16,17)
InChIKeyQXVNHEMNELXJNW-UHFFFAOYSA-N
XLogP0.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
N-(2-hydroxypropylcarbamothioyl)-2-nitrobenzamide
CID 17161921
N-(2-hydroxypropylcarbamothioyl)-2-(2-methoxyethoxy)benzamide
CID 17161980
2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide
CID 833904
2-fluoro-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 1298874
N-(2-hydroxypropylcarbamothioyl)-4-propan-2-ylbenzamide
CID 17177805
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
N-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]-2-fluorobenzamide
CID 54785745
3-chloro-N-(2-hydroxypropylcarbamothioyl)benzamide
CID 17161946
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide (CID 17161957) is 2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide is CC(O)CNC(=S)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide?
The InChIKey is QXVNHEMNELXJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-7(15)6-13-11(17)14-10(16)8-4-2-3-5-9(8)12/h2-5,7,15H,6H2,1H3,(H2,13,14,16,17).
What are the key properties of 2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide?
2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide has a molecular weight of 256.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxypropylcarbamothioyl)benzamide is sourced from PubChem (CID 17161957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).