2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide

C16H15FN2O2S — CID 9402867

IUPAC2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide
SMILESO=C(CCSc1ccccc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H15FN2O2S/c17-14-9-5-4-8-13(14)16(21)19-18-15(20)10-11-22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyVPYYGJZRPYVKOM-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.77
Rot. Bonds5

About 2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide

2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide (PubChem CID 9402867) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide
PubChem CID9402867
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide
SMILESO=C(CCSc1ccccc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H15FN2O2S/c17-14-9-5-4-8-13(14)16(21)19-18-15(20)10-11-22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21)
InChIKeyVPYYGJZRPYVKOM-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide?
The IUPAC name of 2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide (CID 9402867) is 2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide?
The canonical SMILES for 2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide is O=C(CCSc1ccccc1)NNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide?
The InChIKey is VPYYGJZRPYVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-14-9-5-4-8-13(14)16(21)19-18-15(20)10-11-22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)(H,19,21).
What are the key properties of 2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide?
2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide has a molecular weight of 318.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide is sourced from PubChem (CID 9402867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).