2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide

C16H15FN2O2S — CID 26656658

IUPAC2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide
SMILESO=C(CSc1ccccc1)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S/c17-13-8-6-12(7-9-13)10-15(20)18-19-16(21)11-22-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyYPFQFHKQAWEVGJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide

2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide (PubChem CID 26656658) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide
PubChem CID26656658
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide
SMILESO=C(CSc1ccccc1)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S/c17-13-8-6-12(7-9-13)10-15(20)18-19-16(21)11-22-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyYPFQFHKQAWEVGJ-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
The IUPAC name of 2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide (CID 26656658) is 2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide is O=C(CSc1ccccc1)NNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
The InChIKey is YPFQFHKQAWEVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-13-8-6-12(7-9-13)10-15(20)18-19-16(21)11-22-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,20)(H,19,21).
What are the key properties of 2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide?
2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide has a molecular weight of 318.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N'-(2-phenylsulfanylacetyl)acetohydrazide is sourced from PubChem (CID 26656658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).