4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide

C13H15FN2O2S — CID 2908529

IUPAC4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2S/c14-10-5-3-9(4-6-10)12(17)16-13(19)15-8-11-2-1-7-18-11/h3-6,11H,1-2,7-8H2,(H2,15,16,17,19)
InChIKeyYMTXOMAYJLKBDN-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.61
Rot. Bonds3

About 4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide

4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide (PubChem CID 2908529) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
PubChem CID2908529
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC Name4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2S/c14-10-5-3-9(4-6-10)12(17)16-13(19)15-8-11-2-1-7-18-11/h3-6,11H,1-2,7-8H2,(H2,15,16,17,19)
InChIKeyYMTXOMAYJLKBDN-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2910044
Benzamide, N-tetrahydrofurfuryl-3-fluoro-
CID 532005
N-(2,6-dimethylmorpholine-4-carbothioyl)benzamide
CID 2908732
N-Benzoyl-N'-(tetrahydro-2-furanylmethyl)thiourea
CID 2909272
N-(2-(2-(benzyl(methyl)amino)ethoxy)ethylcarbamothioyl)benzamide
CID 9976499
N-(morpholine-4-carbothioyl)benzamide
CID 696258
N-{[(3-methoxypropyl)amino]carbonothioyl}benzamide
CID 2243953
2-bromo-N-{[(tetrahydro-2-furanylmethyl)amino]carbonothioyl}benzamide
CID 2908110
2-methyl-N-{[(tetrahydro-2-furanylmethyl)amino]carbonothioyl}benzamide
CID 2909102
2-fluoro-N-(((tetrahydrofuran-2-yl)methyl)carbamothioyl)benzamide
CID 2929792
3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide
CID 4027649
N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid
CID 932740

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
The IUPAC name of 4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide (CID 2908529) is 4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
The canonical SMILES for 4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide is O=C(NC(=S)NCC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
The InChIKey is YMTXOMAYJLKBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c14-10-5-3-9(4-6-10)12(17)16-13(19)15-8-11-2-1-7-18-11/h3-6,11H,1-2,7-8H2,(H2,15,16,17,19).
What are the key properties of 4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide has a molecular weight of 282.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide is sourced from PubChem (CID 2908529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).