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

C17H17FN2O2S — CID 7969874

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C17H17FN2O2S/c18-14-8-4-5-9-15(14)23-12-17(22)20-19-16(21)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyMQGNCBIDZOMBHM-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.70
Rot. Bonds6

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

N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide (PubChem CID 7969874) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide
PubChem CID7969874
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C17H17FN2O2S/c18-14-8-4-5-9-15(14)23-12-17(22)20-19-16(21)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyMQGNCBIDZOMBHM-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.70
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]-3-phenylpropanehydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide (CID 7969874) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide is O=C(CCc1ccccc1)NNC(=O)CSc1ccccc1F.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide?
The InChIKey is MQGNCBIDZOMBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-14-8-4-5-9-15(14)23-12-17(22)20-19-16(21)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-phenylpropanehydrazide has a molecular weight of 332.40 g/mol, XLogP of 2.70, 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]-3-phenylpropanehydrazide is sourced from PubChem (CID 7969874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).