N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide

C22H19FN2O2S — CID 9418013

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FN2O2S/c23-18-13-7-8-14-19(18)28-15-20(26)24-25-22(27)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27)
InChIKeyRDCOABQHSPKOFJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.90
Rot. Bonds6

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide (PubChem CID 9418013) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
PubChem CID9418013
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19FN2O2S/c23-18-13-7-8-14-19(18)28-15-20(26)24-25-22(27)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27)
InChIKeyRDCOABQHSPKOFJ-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.90
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 N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide (CID 9418013) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide is O=C(CSc1ccccc1F)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide?
The InChIKey is RDCOABQHSPKOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c23-18-13-7-8-14-19(18)28-15-20(26)24-25-22(27)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide has a molecular weight of 394.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 9418013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).