5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol

C18H16FN3O — CID 70387223

IUPAC5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol
SMILESNNc1c(O)cc(-c2ccc(Nc3ccccc3)cc2)cc1F
InChIInChI=1S/C18H16FN3O/c19-16-10-13(11-17(23)18(16)22-20)12-6-8-15(9-7-12)21-14-4-2-1-3-5-14/h1-11,21-23H,20H2
InChIKeyAHOBVMQRQXECNJ-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.23
Rot. Bonds4

About 5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol

5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol (PubChem CID 70387223) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol.

Molecular Properties

Compound Name5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol
PubChem CID70387223
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol
SMILESNNc1c(O)cc(-c2ccc(Nc3ccccc3)cc2)cc1F
InChIInChI=1S/C18H16FN3O/c19-16-10-13(11-17(23)18(16)22-20)12-6-8-15(9-7-12)21-14-4-2-1-3-5-14/h1-11,21-23H,20H2
InChIKeyAHOBVMQRQXECNJ-UHFFFAOYSA-N
XLogP4.23
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol 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 5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol?
The IUPAC name of 5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol (CID 70387223) is 5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol.
What is the SMILES notation for 5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol?
The canonical SMILES for 5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol is NNc1c(O)cc(-c2ccc(Nc3ccccc3)cc2)cc1F.
What is the InChIKey of 5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol?
The InChIKey is AHOBVMQRQXECNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-16-10-13(11-17(23)18(16)22-20)12-6-8-15(9-7-12)21-14-4-2-1-3-5-14/h1-11,21-23H,20H2.
What are the key properties of 5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol?
5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol has a molecular weight of 309.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-anilinophenyl)-3-fluoro-2-hydrazinylphenol is sourced from PubChem (CID 70387223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).