[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate

C21H15FN2O3 — CID 25252626

IUPAC[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(Oc1ccc(/C=N/NC(=O)c2ccccc2F)cc1)c1ccccc1
InChIInChI=1S/C21H15FN2O3/c22-19-9-5-4-8-18(19)20(25)24-23-14-15-10-12-17(13-11-15)27-21(26)16-6-2-1-3-7-16/h1-14H,(H,24,25)/b23-14+
InChIKeyKLOUIKVKDSAZNM-OEAKJJBVSA-N
MW362.36 g/mol
LogP3.81
Rot. Bonds5

About [4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate

[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 25252626) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is [4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
PubChem CID25252626
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(Oc1ccc(/C=N/NC(=O)c2ccccc2F)cc1)c1ccccc1
InChIInChI=1S/C21H15FN2O3/c22-19-9-5-4-8-18(19)20(25)24-23-14-15-10-12-17(13-11-15)27-21(26)16-6-2-1-3-7-16/h1-14H,(H,24,25)/b23-14+
InChIKeyKLOUIKVKDSAZNM-OEAKJJBVSA-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-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 4095842
[4-[[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3766798
[4-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 3344650
[4-[[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 4605891
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 3639611
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
CID 4522165
[4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 75087863
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 110512271
N-[(4-ethylphenyl)methylideneamino]-2-fluorobenzamide
CID 2593298
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate (CID 25252626) is [4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2F)cc1)c1ccccc1.
What is the InChIKey of [4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is KLOUIKVKDSAZNM-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H15FN2O3/c22-19-9-5-4-8-18(19)20(25)24-23-14-15-10-12-17(13-11-15)27-21(26)16-6-2-1-3-7-16/h1-14H,(H,24,25)/b23-14+.
What are the key properties of [4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate?
[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate 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-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 25252626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).