4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate

C15H12FN2O2- — CID 7761403

IUPAC4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
SMILESC/C(=N/Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O2/c1-10(11-2-6-13(16)7-3-11)17-18-14-8-4-12(5-9-14)15(19)20/h2-9,18H,1H3,(H,19,20)/p-1/b17-10-
InChIKeyPGXHRHXBSJSPCP-YVLHZVERSA-M
MW271.27 g/mol
LogP2.03
Rot. Bonds4

About 4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate

4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate (PubChem CID 7761403) has the molecular formula C15H12FN2O2- and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
PubChem CID7761403
Molecular FormulaC15H12FN2O2-
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
SMILESC/C(=N/Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O2/c1-10(11-2-6-13(16)7-3-11)17-18-14-8-4-12(5-9-14)15(19)20/h2-9,18H,1H3,(H,19,20)/p-1/b17-10-
InChIKeyPGXHRHXBSJSPCP-YVLHZVERSA-M
XLogP2.03
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.03
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'}

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Related Compounds

4-[(2Z)-2-[1-(4-propoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 9012896
4-[[4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]phenyl]sulfonylamino]butanoate
CID 9076361
4-[(2E)-2-[1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylidene]hydrazinyl]benzoate
CID 135734520
4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate
CID 9012893
4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
CID 8007668
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
copper bis(4-fluorobenzoate)
CID 70452334
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 7950665
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968
4-[(2Z)-2-[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]benzoate
CID 9012825
4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 9012884

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate (CID 7761403) is 4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate is C/C(=N/Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate?
The InChIKey is PGXHRHXBSJSPCP-YVLHZVERSA-M. The full InChI is InChI=1S/C15H13FN2O2/c1-10(11-2-6-13(16)7-3-11)17-18-14-8-4-12(5-9-14)15(19)20/h2-9,18H,1H3,(H,19,20)/p-1/b17-10-.
What are the key properties of 4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate has a molecular weight of 271.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7761403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).