[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate

C24H19Cl2N3O6 — CID 4583461

IUPAC[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate
SMILESCOc1cc(C=NNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1OC
InChIInChI=1S/C24H19Cl2N3O6/c1-33-19-6-4-3-5-16(19)24(32)35-20-10-7-14(11-21(20)34-2)13-27-29-23(31)22(30)28-18-12-15(25)8-9-17(18)26/h3-13H,1-2H3,(H,28,30)(H,29,31)
InChIKeyZSBPFJCJPZNSKS-UHFFFAOYSA-N
MW516.34 g/mol
LogP4.32
Rot. Bonds7

About [4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate

[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate (PubChem CID 4583461) has the molecular formula C24H19Cl2N3O6 and a molecular weight of 516.34 g/mol. Its IUPAC name is [4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate
PubChem CID4583461
Molecular FormulaC24H19Cl2N3O6
Molecular Weight516.34 g/mol
Exact Mass515.07
IUPAC Name[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate
SMILESCOc1cc(C=NNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1OC
InChIInChI=1S/C24H19Cl2N3O6/c1-33-19-6-4-3-5-16(19)24(32)35-20-10-7-14(11-21(20)34-2)13-27-29-23(31)22(30)28-18-12-15(25)8-9-17(18)26/h3-13H,1-2H3,(H,28,30)(H,29,31)
InChIKeyZSBPFJCJPZNSKS-UHFFFAOYSA-N
XLogP4.32
TPSA115.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.34
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate with MolForge

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Launch Full Analysis

Related Compounds

[3-[(E)-[[2-(5-chloro-2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 19661790
[4-[[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 4290170
[4-[[[2-(2,6-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 4110077
[2-methoxy-4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 5061274
[2-methoxy-4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3731815
[4-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 6034808
N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 4992748
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6302384
[4-[[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 3846954
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
CID 5218670
[4-[[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 4143597
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 4292329

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate?
The IUPAC name of [4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate (CID 4583461) is [4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate.
What is the SMILES notation for [4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate?
The canonical SMILES for [4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate is COc1cc(C=NNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1OC.
What is the InChIKey of [4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate?
The InChIKey is ZSBPFJCJPZNSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O6/c1-33-19-6-4-3-5-16(19)24(32)35-20-10-7-14(11-21(20)34-2)13-27-29-23(31)22(30)28-18-12-15(25)8-9-17(18)26/h3-13H,1-2H3,(H,28,30)(H,29,31).
What are the key properties of [4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate?
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate has a molecular weight of 516.34 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate is sourced from PubChem (CID 4583461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).