2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid

C23H18Cl2N2O5 — CID 51061822

IUPAC2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C23H18Cl2N2O5/c24-18-6-3-17(21(25)11-18)13-31-20-9-4-16(5-10-20)23(30)27-26-12-15-1-7-19(8-2-15)32-14-22(28)29/h1-12H,13-14H2,(H,27,30)(H,28,29)/b26-12+
InChIKeyCZMTVTLQVQBJAS-RPPGKUMJSA-N
MW473.31 g/mol
LogP4.80
Rot. Bonds9

About 2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 51061822) has the molecular formula C23H18Cl2N2O5 and a molecular weight of 473.31 g/mol. Its IUPAC name is 2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID51061822
Molecular FormulaC23H18Cl2N2O5
Molecular Weight473.31 g/mol
Exact Mass472.06
IUPAC Name2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C23H18Cl2N2O5/c24-18-6-3-17(21(25)11-18)13-31-20-9-4-16(5-10-20)23(30)27-26-12-15-1-7-19(8-2-15)32-14-22(28)29/h1-12H,13-14H2,(H,27,30)(H,28,29)/b26-12+
InChIKeyCZMTVTLQVQBJAS-RPPGKUMJSA-N
XLogP4.80
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.31
LogP ≤ 54.80
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'}

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Related Compounds

4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061552
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 51061815
3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847989
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 137105852
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
4-chloro-N-[1-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 3599501
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 51061983
[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 1018571
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 51061822) is 2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is CZMTVTLQVQBJAS-RPPGKUMJSA-N. The full InChI is InChI=1S/C23H18Cl2N2O5/c24-18-6-3-17(21(25)11-18)13-31-20-9-4-16(5-10-20)23(30)27-26-12-15-1-7-19(8-2-15)32-14-22(28)29/h1-12H,13-14H2,(H,27,30)(H,28,29)/b26-12+.
What are the key properties of 2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 473.31 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 51061822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).