4-fluoro-N-(morpholine-4-carbothioyl)benzamide

C12H13FN2O2S — CID 932740

IUPAC4-fluoro-N-(morpholine-4-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O2S/c13-10-3-1-9(2-4-10)11(16)14-12(18)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,14,16,18)
InChIKeyCDWQWPCILULKQO-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.17
Rot. Bonds1

About 4-fluoro-N-(morpholine-4-carbothioyl)benzamide

4-fluoro-N-(morpholine-4-carbothioyl)benzamide (PubChem CID 932740) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-fluoro-N-(morpholine-4-carbothioyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(morpholine-4-carbothioyl)benzamide
PubChem CID932740
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC Name4-fluoro-N-(morpholine-4-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O2S/c13-10-3-1-9(2-4-10)11(16)14-12(18)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,14,16,18)
InChIKeyCDWQWPCILULKQO-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(morpholine-4-carbothioyl)benzamide?
The IUPAC name of 4-fluoro-N-(morpholine-4-carbothioyl)benzamide (CID 932740) is 4-fluoro-N-(morpholine-4-carbothioyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(morpholine-4-carbothioyl)benzamide?
The canonical SMILES for 4-fluoro-N-(morpholine-4-carbothioyl)benzamide is O=C(NC(=S)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(morpholine-4-carbothioyl)benzamide?
The InChIKey is CDWQWPCILULKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c13-10-3-1-9(2-4-10)11(16)14-12(18)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,14,16,18).
What are the key properties of 4-fluoro-N-(morpholine-4-carbothioyl)benzamide?
4-fluoro-N-(morpholine-4-carbothioyl)benzamide has a molecular weight of 268.31 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(morpholine-4-carbothioyl)benzamide is sourced from PubChem (CID 932740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).