ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate

C23H25Cl2N3O6 — CID 4285725

IUPACethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C=NNC(=O)CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1OCC
InChIInChI=1S/C23H25Cl2N3O6/c1-3-32-20-11-15(5-8-19(20)34-14-22(30)33-4-2)13-27-28-21(29)9-10-26-23(31)16-6-7-17(24)18(25)12-16/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,26,31)(H,28,29)
InChIKeyTXJQMAHBJCWJDP-UHFFFAOYSA-N
MW510.37 g/mol
LogP3.60
Rot. Bonds12

About ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate

ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate (PubChem CID 4285725) has the molecular formula C23H25Cl2N3O6 and a molecular weight of 510.37 g/mol. Its IUPAC name is ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
PubChem CID4285725
Molecular FormulaC23H25Cl2N3O6
Molecular Weight510.37 g/mol
Exact Mass509.11
IUPAC Nameethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C=NNC(=O)CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1OCC
InChIInChI=1S/C23H25Cl2N3O6/c1-3-32-20-11-15(5-8-19(20)34-14-22(30)33-4-2)13-27-28-21(29)9-10-26-23(31)16-6-7-17(24)18(25)12-16/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,26,31)(H,28,29)
InChIKeyTXJQMAHBJCWJDP-UHFFFAOYSA-N
XLogP3.60
TPSA115.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate with MolForge

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Related Compounds

3,4-dichloro-N-[3-[2-[[3-ethoxy-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3895696
3,4-dichloro-N-[3-[2-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 4566838
3,4-dichloro-N-[3-[2-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 4553619
3,4-dichloro-N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 137270033
2-[4-[(Z)-[(3-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid
CID 126059964
methyl 2-[2-methoxy-4-[[3-[(4-methoxybenzoyl)amino]propanoylhydrazinylidene]methyl]phenoxy]acetate
CID 3532553
3,4-dichloro-N-[3-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 4537257
ethyl 2-[2-ethoxy-4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3669831
[4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
CID 3346726
ethyl 2-[2-ethoxy-4-[(Z)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 92659149
ethyl 2-[4-[[[4-(2,3-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 5007118
[4-[(Z)-[3-[(2-chlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenyl] 3,4-dimethoxybenzoate
CID 6129118

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate (CID 4285725) is ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate is CCOC(=O)COc1ccc(C=NNC(=O)CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1OCC.
What is the InChIKey of ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate?
The InChIKey is TXJQMAHBJCWJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O6/c1-3-32-20-11-15(5-8-19(20)34-14-22(30)33-4-2)13-27-28-21(29)9-10-26-23(31)16-6-7-17(24)18(25)12-16/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,26,31)(H,28,29).
What are the key properties of ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate?
ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate has a molecular weight of 510.37 g/mol, XLogP of 3.60, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[3-[(3,4-dichlorobenzoyl)amino]propanoylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetate is sourced from PubChem (CID 4285725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).