[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

C21H14ClFN2O3 — CID 40963720

IUPAC[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
SMILESO=C(N/N=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H14ClFN2O3/c22-17-7-3-16(4-8-17)21(27)28-19-11-1-14(2-12-19)13-24-25-20(26)15-5-9-18(23)10-6-15/h1-13H,(H,25,26)/b24-13-
InChIKeyJKYRDXOITGPAHR-CFRMEGHHSA-N
MW396.81 g/mol
LogP4.46
Rot. Bonds5

About [4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate (PubChem CID 40963720) has the molecular formula C21H14ClFN2O3 and a molecular weight of 396.81 g/mol. Its IUPAC name is [4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
PubChem CID40963720
Molecular FormulaC21H14ClFN2O3
Molecular Weight396.81 g/mol
Exact Mass396.07
IUPAC Name[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
SMILESO=C(N/N=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H14ClFN2O3/c22-17-7-3-16(4-8-17)21(27)28-19-11-1-14(2-12-19)13-24-25-20(26)15-5-9-18(23)10-6-15/h1-13H,(H,25,26)/b24-13-
InChIKeyJKYRDXOITGPAHR-CFRMEGHHSA-N
XLogP4.46
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.46
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-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6031077
[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 6155557
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 4079306
[4-[[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
CID 3424101
[4-[(Z)-[[2-(5-chloro-2-methylsulfanylphenyl)acetyl]hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110525385
[4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 5085416
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060148
[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 6104777
[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3965877

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The IUPAC name of [4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate (CID 40963720) is [4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate.
What is the SMILES notation for [4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The canonical SMILES for [4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is O=C(N/N=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of [4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
The InChIKey is JKYRDXOITGPAHR-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H14ClFN2O3/c22-17-7-3-16(4-8-17)21(27)28-19-11-1-14(2-12-19)13-24-25-20(26)15-5-9-18(23)10-6-15/h1-13H,(H,25,26)/b24-13-.
What are the key properties of [4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?
[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate has a molecular weight of 396.81 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is sourced from PubChem (CID 40963720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).