3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid

C15H15FN4O2 — CID 141384701

IUPAC3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid
SMILESO=C(O)C(CNNc1ccc(F)cc1)=NNc1ccccc1
InChIInChI=1S/C15H15FN4O2/c16-11-6-8-13(9-7-11)18-17-10-14(15(21)22)20-19-12-4-2-1-3-5-12/h1-9,17-19H,10H2,(H,21,22)
InChIKeyLPRMFTKLOYVEGM-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.29
Rot. Bonds7

About 3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid

3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid (PubChem CID 141384701) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid
PubChem CID141384701
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid
SMILESO=C(O)C(CNNc1ccc(F)cc1)=NNc1ccccc1
InChIInChI=1S/C15H15FN4O2/c16-11-6-8-13(9-7-11)18-17-10-14(15(21)22)20-19-12-4-2-1-3-5-12/h1-9,17-19H,10H2,(H,21,22)
InChIKeyLPRMFTKLOYVEGM-UHFFFAOYSA-N
XLogP2.29
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid (CID 141384701) is 3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid is O=C(O)C(CNNc1ccc(F)cc1)=NNc1ccccc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid?
The InChIKey is LPRMFTKLOYVEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-11-6-8-13(9-7-11)18-17-10-14(15(21)22)20-19-12-4-2-1-3-5-12/h1-9,17-19H,10H2,(H,21,22).
What are the key properties of 3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid?
3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid has a molecular weight of 302.31 g/mol, XLogP of 2.29, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid is sourced from PubChem (CID 141384701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).