[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

C28H20Cl2N2O4 — CID 41271342

IUPAC[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESO=C(Oc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C28H20Cl2N2O4/c29-22-13-16-24(25(30)17-22)26(33)36-23-14-11-19(12-15-23)18-31-32-27(34)28(35,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-18,35H,(H,32,34)/b31-18-
InChIKeyWTCJMVAORNVBIK-MNBJERMJSA-N
MW519.38 g/mol
LogP5.60
Rot. Bonds7

About [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (PubChem CID 41271342) has the molecular formula C28H20Cl2N2O4 and a molecular weight of 519.38 g/mol. Its IUPAC name is [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
PubChem CID41271342
Molecular FormulaC28H20Cl2N2O4
Molecular Weight519.38 g/mol
Exact Mass518.08
IUPAC Name[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESO=C(Oc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C28H20Cl2N2O4/c29-22-13-16-24(25(30)17-22)26(33)36-23-14-11-19(12-15-23)18-31-32-27(34)28(35,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-18,35H,(H,32,34)/b31-18-
InChIKeyWTCJMVAORNVBIK-MNBJERMJSA-N
XLogP5.60
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.38
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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] 2,4-dichlorobenzoate
CID 3422845
[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 6144041
[4-[[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3555201
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6123495
[4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6270486
[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6060453
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 45054774
[4-[[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3544117
[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 5185562
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4182534
(4-methanehydrazonoylphenyl) 2,4-dichlorobenzoate
CID 168530505
[4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3112310

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The IUPAC name of [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (CID 41271342) is [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The canonical SMILES for [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is O=C(Oc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The InChIKey is WTCJMVAORNVBIK-MNBJERMJSA-N. The full InChI is InChI=1S/C28H20Cl2N2O4/c29-22-13-16-24(25(30)17-22)26(33)36-23-14-11-19(12-15-23)18-31-32-27(34)28(35,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-18,35H,(H,32,34)/b31-18-.
What are the key properties of [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate has a molecular weight of 519.38 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 41271342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).