N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide

C15H15FN2O2S — CID 30498968

IUPACN'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide
SMILESO=C(CCc1ccsc1)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2S/c16-13-4-1-11(2-5-13)9-15(20)18-17-14(19)6-3-12-7-8-21-10-12/h1-2,4-5,7-8,10H,3,6,9H2,(H,17,19)(H,18,20)
InChIKeyLSUBNMFZHXAWIB-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.21
Rot. Bonds5

About N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide

N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide (PubChem CID 30498968) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide
PubChem CID30498968
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide
SMILESO=C(CCc1ccsc1)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2S/c16-13-4-1-11(2-5-13)9-15(20)18-17-14(19)6-3-12-7-8-21-10-12/h1-2,4-5,7-8,10H,3,6,9H2,(H,17,19)(H,18,20)
InChIKeyLSUBNMFZHXAWIB-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.21
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-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide (CID 30498968) is N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide is O=C(CCc1ccsc1)NNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide?
The InChIKey is LSUBNMFZHXAWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-13-4-1-11(2-5-13)9-15(20)18-17-14(19)6-3-12-7-8-21-10-12/h1-2,4-5,7-8,10H,3,6,9H2,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide?
N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide has a molecular weight of 306.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-3-thiophen-3-ylpropanehydrazide is sourced from PubChem (CID 30498968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).