[2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate

C23H17Cl2N3O4 — CID 126226465

IUPAC[2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H17Cl2N3O4/c1-14(29)27-20-9-4-15(5-10-20)22(30)28-26-13-17-12-19(25)8-11-21(17)32-23(31)16-2-6-18(24)7-3-16/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+
InChIKeyVSAAYPWJFGLOOG-LGJNPRDNSA-N
MW470.31 g/mol
LogP4.93
Rot. Bonds6

About [2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate

[2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate (PubChem CID 126226465) has the molecular formula C23H17Cl2N3O4 and a molecular weight of 470.31 g/mol. Its IUPAC name is [2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate
PubChem CID126226465
Molecular FormulaC23H17Cl2N3O4
Molecular Weight470.31 g/mol
Exact Mass469.06
IUPAC Name[2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H17Cl2N3O4/c1-14(29)27-20-9-4-15(5-10-20)22(30)28-26-13-17-12-19(25)8-11-21(17)32-23(31)16-2-6-18(24)7-3-16/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+
InChIKeyVSAAYPWJFGLOOG-LGJNPRDNSA-N
XLogP4.93
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.31
LogP ≤ 54.93
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-chloro-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 126229252
[4-bromo-2-[[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3534843
[2-[(E)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6871630
[4-chloro-2-[(E)-[[4-(furan-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126224283
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 4079306
[2-[[[3-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126231194
[4-bromo-2-[[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3693192
[2-[(E)-[[4-[(3-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]-4-nitrophenyl] 4-chlorobenzoate
CID 126233386
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
[2-[[[3-[(4-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126226558
[3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4646056
[2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6290283

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate?
The IUPAC name of [2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate (CID 126226465) is [2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate.
What is the SMILES notation for [2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate?
The canonical SMILES for [2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate is CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate?
The InChIKey is VSAAYPWJFGLOOG-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H17Cl2N3O4/c1-14(29)27-20-9-4-15(5-10-20)22(30)28-26-13-17-12-19(25)8-11-21(17)32-23(31)16-2-6-18(24)7-3-16/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+.
What are the key properties of [2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate?
[2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate has a molecular weight of 470.31 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate is sourced from PubChem (CID 126226465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).