[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

C22H16Cl2N2O3 — CID 5185562

IUPAC[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESCc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2N2O3/c1-14-2-6-16(7-3-14)21(27)26-25-13-15-4-9-18(10-5-15)29-22(28)19-11-8-17(23)12-20(19)24/h2-13H,1H3,(H,26,27)
InChIKeyBVQBQHUFGHMNMD-UHFFFAOYSA-N
MW427.29 g/mol
LogP5.28
Rot. Bonds5

About [4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (PubChem CID 5185562) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is [4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
PubChem CID5185562
Molecular FormulaC22H16Cl2N2O3
Molecular Weight427.29 g/mol
Exact Mass426.05
IUPAC Name[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESCc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2N2O3/c1-14-2-6-16(7-3-14)21(27)26-25-13-15-4-9-18(10-5-15)29-22(28)19-11-8-17(23)12-20(19)24/h2-13H,1H3,(H,26,27)
InChIKeyBVQBQHUFGHMNMD-UHFFFAOYSA-N
XLogP5.28
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.28
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-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6023250
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4276953
[4-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 5009388
[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-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496
[4-[[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4197542
[4-[[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3555201
[4-[[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3544117
[3-[[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3785640
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 3281330

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The IUPAC name of [4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (CID 5185562) is [4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The canonical SMILES for [4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is Cc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of [4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The InChIKey is BVQBQHUFGHMNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c1-14-2-6-16(7-3-14)21(27)26-25-13-15-4-9-18(10-5-15)29-22(28)19-11-8-17(23)12-20(19)24/h2-13H,1H3,(H,26,27).
What are the key properties of [4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate has a molecular weight of 427.29 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 5185562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).