[4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate

C22H17IN2O3 — CID 6294132

IUPAC[4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
SMILESCc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3I)cc2)cc1
InChIInChI=1S/C22H17IN2O3/c1-15-6-10-17(11-7-15)21(26)25-24-14-16-8-12-18(13-9-16)28-22(27)19-4-2-3-5-20(19)23/h2-14H,1H3,(H,25,26)/b24-14-
InChIKeyPMCYBQZBNWHLAP-OYKKKHCWSA-N
MW484.29 g/mol
LogP4.58
Rot. Bonds5

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

[4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate (PubChem CID 6294132) has the molecular formula C22H17IN2O3 and a molecular weight of 484.29 g/mol. Its IUPAC name is [4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate.

Molecular Properties

Compound Name[4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
PubChem CID6294132
Molecular FormulaC22H17IN2O3
Molecular Weight484.29 g/mol
Exact Mass484.03
IUPAC Name[4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
SMILESCc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3I)cc2)cc1
InChIInChI=1S/C22H17IN2O3/c1-15-6-10-17(11-7-15)21(26)25-24-14-16-8-12-18(13-9-16)28-22(27)19-4-2-3-5-20(19)23/h2-14H,1H3,(H,25,26)/b24-14-
InChIKeyPMCYBQZBNWHLAP-OYKKKHCWSA-N
XLogP4.58
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.29
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

[4-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3415609
[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 51060758
[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-[(Z)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6116646
[4-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 162787179
[4-[[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 75087729
[4-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 3736032
[4-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 51062016
[4-[[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3499826
[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 5185562

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate?
The IUPAC name of [4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate (CID 6294132) is [4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate.
What is the SMILES notation for [4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate?
The canonical SMILES for [4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate is Cc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3I)cc2)cc1.
What is the InChIKey of [4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate?
The InChIKey is PMCYBQZBNWHLAP-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H17IN2O3/c1-15-6-10-17(11-7-15)21(26)25-24-14-16-8-12-18(13-9-16)28-22(27)19-4-2-3-5-20(19)23/h2-14H,1H3,(H,25,26)/b24-14-.
What are the key properties of [4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate?
[4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate has a molecular weight of 484.29 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate is sourced from PubChem (CID 6294132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).