3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide

C17H16F2N2O2S — CID 9428845

IUPAC3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
SMILESO=C(CCc1ccccc1F)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C17H16F2N2O2S/c18-13-6-2-1-5-12(13)9-10-16(22)20-21-17(23)11-24-15-8-4-3-7-14(15)19/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyUUSYQZPMKURMBH-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.84
Rot. Bonds6

About 3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide

3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide (PubChem CID 9428845) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
PubChem CID9428845
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC Name3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
SMILESO=C(CCc1ccccc1F)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C17H16F2N2O2S/c18-13-6-2-1-5-12(13)9-10-16(22)20-21-17(23)11-24-15-8-4-3-7-14(15)19/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyUUSYQZPMKURMBH-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.84
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 3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
The IUPAC name of 3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide (CID 9428845) is 3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide.
What is the SMILES notation for 3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
The canonical SMILES for 3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide is O=C(CCc1ccccc1F)NNC(=O)CSc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
The InChIKey is UUSYQZPMKURMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c18-13-6-2-1-5-12(13)9-10-16(22)20-21-17(23)11-24-15-8-4-3-7-14(15)19/h1-8H,9-11H2,(H,20,22)(H,21,23).
What are the key properties of 3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide has a molecular weight of 350.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide is sourced from PubChem (CID 9428845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).