[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate

C21H15FN2O3 — CID 4095842

IUPAC[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
SMILESO=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)c1ccccc1
InChIInChI=1S/C21H15FN2O3/c22-19-9-5-4-8-18(19)21(26)27-17-12-10-15(11-13-17)14-23-24-20(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)
InChIKeyBJOUWSVDMIFPIW-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.81
Rot. Bonds5

About [4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate

[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate (PubChem CID 4095842) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is [4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
PubChem CID4095842
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
SMILESO=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)c1ccccc1
InChIInChI=1S/C21H15FN2O3/c22-19-9-5-4-8-18(19)21(26)27-17-12-10-15(11-13-17)14-23-24-20(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)
InChIKeyBJOUWSVDMIFPIW-UHFFFAOYSA-N
XLogP3.81
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 25252626
[4-[[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 4605891
[4-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 3344650
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
CID 4522165
[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6031077
[4-[[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3766798
[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 3639611
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845
[4-[(Z)-[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 6114048
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
[4-[[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 4303570
[4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3415609

Frequently Asked Questions

What is the IUPAC name of [4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate?
The IUPAC name of [4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate (CID 4095842) is [4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate.
What is the SMILES notation for [4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate?
The canonical SMILES for [4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate is O=C(NN=Cc1ccc(OC(=O)c2ccccc2F)cc1)c1ccccc1.
What is the InChIKey of [4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate?
The InChIKey is BJOUWSVDMIFPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c22-19-9-5-4-8-18(19)21(26)27-17-12-10-15(11-13-17)14-23-24-20(25)16-6-2-1-3-7-16/h1-14H,(H,24,25).
What are the key properties of [4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate?
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate has a molecular weight of 362.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate is sourced from PubChem (CID 4095842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).