2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid

C19H19ClN2O5 — CID 126059964

IUPAC2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(C)c(Cl)c2)ccc1OCC(=O)O
InChIInChI=1S/C19H19ClN2O5/c1-3-26-17-8-13(5-7-16(17)27-11-18(23)24)10-21-22-19(25)14-6-4-12(2)15(20)9-14/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,24)/b21-10-
InChIKeyZNAURDXEQQCMLD-FBHDLOMBSA-N
MW390.82 g/mol
LogP3.27
Rot. Bonds8

About 2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid

2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid (PubChem CID 126059964) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is 2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid
PubChem CID126059964
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(C)c(Cl)c2)ccc1OCC(=O)O
InChIInChI=1S/C19H19ClN2O5/c1-3-26-17-8-13(5-7-16(17)27-11-18(23)24)10-21-22-19(25)14-6-4-12(2)15(20)9-14/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,24)/b21-10-
InChIKeyZNAURDXEQQCMLD-FBHDLOMBSA-N
XLogP3.27
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.27
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

2-[2-chloro-4-[(E)-[(3,4-diethoxybenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 126340491
N-[(E)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126308714
N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126328290
2-[2-bromo-4-[(E)-[(3,4-diethoxybenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 126320770
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 4285725
2-[2-(carboxymethoxy)-4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4205853
2-[2-chloro-4-[(E)-[(3-methoxy-4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126316909
2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126327597
3-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126058582
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid (CID 126059964) is 2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid is CCOc1cc(/C=N\NC(=O)c2ccc(C)c(Cl)c2)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid?
The InChIKey is ZNAURDXEQQCMLD-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-3-26-17-8-13(5-7-16(17)27-11-18(23)24)10-21-22-19(25)14-6-4-12(2)15(20)9-14/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,24)/b21-10-.
What are the key properties of 2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid?
2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid has a molecular weight of 390.82 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid is sourced from PubChem (CID 126059964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).