2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid

C24H19ClN4O6 — CID 6024920

IUPAC2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN4O6/c25-16-7-9-17(10-8-16)27-22(32)19-3-1-2-4-20(19)28-23(33)24(34)29-26-13-15-5-11-18(12-6-15)35-14-21(30)31/h1-13H,14H2,(H,27,32)(H,28,33)(H,29,34)(H,30,31)/b26-13-
InChIKeyHYHLZOOGPWVXEC-ZMFRSBBQSA-N
MW494.89 g/mol
LogP3.14
Rot. Bonds8

About 2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6024920) has the molecular formula C24H19ClN4O6 and a molecular weight of 494.89 g/mol. Its IUPAC name is 2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6024920
Molecular FormulaC24H19ClN4O6
Molecular Weight494.89 g/mol
Exact Mass494.10
IUPAC Name2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H19ClN4O6/c25-16-7-9-17(10-8-16)27-22(32)19-3-1-2-4-20(19)28-23(33)24(34)29-26-13-15-5-11-18(12-6-15)35-14-21(30)31/h1-13H,14H2,(H,27,32)(H,28,33)(H,29,34)(H,30,31)/b26-13-
InChIKeyHYHLZOOGPWVXEC-ZMFRSBBQSA-N
XLogP3.14
TPSA146.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.89
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

2-[4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6010454
N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 5239737
N-[2-(phenylcarbamoyl)phenyl]-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6024308
[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6036898
[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6117413
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 3631981
N'-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 6893019
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193
2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 4097734
[4-[[[2-[2-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 4094463
N-(4-chlorophenyl)-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832736
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 5049729

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 6024920) is 2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is HYHLZOOGPWVXEC-ZMFRSBBQSA-N. The full InChI is InChI=1S/C24H19ClN4O6/c25-16-7-9-17(10-8-16)27-22(32)19-3-1-2-4-20(19)28-23(33)24(34)29-26-13-15-5-11-18(12-6-15)35-14-21(30)31/h1-13H,14H2,(H,27,32)(H,28,33)(H,29,34)(H,30,31)/b26-13-.
What are the key properties of 2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 494.89 g/mol, XLogP of 3.14, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6024920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).