[4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate

C21H15IN2O4 — CID 3415609

IUPAC[4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
SMILESO=C(NN=Cc1ccc(OC(=O)c2ccccc2I)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H15IN2O4/c22-19-4-2-1-3-18(19)21(27)28-17-11-5-14(6-12-17)13-23-24-20(26)15-7-9-16(25)10-8-15/h1-13,25H,(H,24,26)
InChIKeyBIXZHTIKEPIQPF-UHFFFAOYSA-N
MW486.27 g/mol
LogP3.98
Rot. Bonds5

About [4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate

[4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate (PubChem CID 3415609) has the molecular formula C21H15IN2O4 and a molecular weight of 486.27 g/mol. Its IUPAC name is [4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate.

Molecular Properties

Compound Name[4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
PubChem CID3415609
Molecular FormulaC21H15IN2O4
Molecular Weight486.27 g/mol
Exact Mass486.01
IUPAC Name[4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
SMILESO=C(NN=Cc1ccc(OC(=O)c2ccccc2I)cc1)c1ccc(O)cc1
InChIInChI=1S/C21H15IN2O4/c22-19-4-2-1-3-18(19)21(27)28-17-11-5-14(6-12-17)13-23-24-20(26)15-7-9-16(25)10-8-15/h1-13,25H,(H,24,26)
InChIKeyBIXZHTIKEPIQPF-UHFFFAOYSA-N
XLogP3.98
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.27
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate with MolForge

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Related Compounds

[4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6294132
[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 162787179
[4-[[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 4150709
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate
CID 6024810
[4-[(E)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 51060577
[4-[[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 75087729
[4-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6031077
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
CID 4522165
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 4095842
[4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6270486
[4-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3736032
[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 51060758

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate?
The IUPAC name of [4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate (CID 3415609) is [4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate.
What is the SMILES notation for [4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate?
The canonical SMILES for [4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate is O=C(NN=Cc1ccc(OC(=O)c2ccccc2I)cc1)c1ccc(O)cc1.
What is the InChIKey of [4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate?
The InChIKey is BIXZHTIKEPIQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15IN2O4/c22-19-4-2-1-3-18(19)21(27)28-17-11-5-14(6-12-17)13-23-24-20(26)15-7-9-16(25)10-8-15/h1-13,25H,(H,24,26).
What are the key properties of [4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate?
[4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate has a molecular weight of 486.27 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate is sourced from PubChem (CID 3415609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).