4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid

C15H11FN2O3 — CID 6904687

IUPAC4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H11FN2O3/c16-13-7-5-11(6-8-13)14(19)18-17-9-10-1-3-12(4-2-10)15(20)21/h1-9H,(H,18,19)(H,20,21)/b17-9+
InChIKeyOBZOHUUBODHUOT-RQZCQDPDSA-N
MW286.26 g/mol
LogP2.29
Rot. Bonds4

About 4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid

4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid (PubChem CID 6904687) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
PubChem CID6904687
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H11FN2O3/c16-13-7-5-11(6-8-13)14(19)18-17-9-10-1-3-12(4-2-10)15(20)21/h1-9H,(H,18,19)(H,20,21)/b17-9+
InChIKeyOBZOHUUBODHUOT-RQZCQDPDSA-N
XLogP2.29
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid (CID 6904687) is 4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid is O=C(O)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is OBZOHUUBODHUOT-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-13-7-5-11(6-8-13)14(19)18-17-9-10-1-3-12(4-2-10)15(20)21/h1-9H,(H,18,19)(H,20,21)/b17-9+.
What are the key properties of 4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid?
4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 286.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 6904687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).