4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide

C13H11FN2O2S — CID 772328

IUPAC4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESO=C(Cc1cccs1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2S/c14-10-5-3-9(4-6-10)13(18)16-15-12(17)8-11-2-1-7-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyKLZLBMYBZOXHOF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.89
Rot. Bonds3

About 4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide

4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide (PubChem CID 772328) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide
PubChem CID772328
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESO=C(Cc1cccs1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2S/c14-10-5-3-9(4-6-10)13(18)16-15-12(17)8-11-2-1-7-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyKLZLBMYBZOXHOF-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.89
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 4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The IUPAC name of 4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide (CID 772328) is 4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The canonical SMILES for 4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide is O=C(Cc1cccs1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The InChIKey is KLZLBMYBZOXHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c14-10-5-3-9(4-6-10)13(18)16-15-12(17)8-11-2-1-7-19-11/h1-7H,8H2,(H,15,17)(H,16,18).
What are the key properties of 4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide has a molecular weight of 278.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(2-thiophen-2-ylacetyl)benzohydrazide is sourced from PubChem (CID 772328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).