N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide

C17H14Cl4N2O4 — CID 135629464

IUPACN-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
SMILESCCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)c1O
InChIInChI=1S/C17H14Cl4N2O4/c1-2-26-14-6-12(20)16(21)10(17(14)25)7-22-23-15(24)8-27-13-5-9(18)3-4-11(13)19/h3-7,25H,2,8H2,1H3,(H,23,24)/b22-7+
InChIKeyJQPBRHYKLBVNIK-QPJQQBGISA-N
MW452.12 g/mol
LogP4.93
Rot. Bonds7

About N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide

N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide (PubChem CID 135629464) has the molecular formula C17H14Cl4N2O4 and a molecular weight of 452.12 g/mol. Its IUPAC name is N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
PubChem CID135629464
Molecular FormulaC17H14Cl4N2O4
Molecular Weight452.12 g/mol
Exact Mass449.97
IUPAC NameN-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
SMILESCCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)c1O
InChIInChI=1S/C17H14Cl4N2O4/c1-2-26-14-6-12(20)16(21)10(17(14)25)7-22-23-15(24)8-27-13-5-9(18)3-4-11(13)19/h3-7,25H,2,8H2,1H3,(H,23,24)/b22-7+
InChIKeyJQPBRHYKLBVNIK-QPJQQBGISA-N
XLogP4.93
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.12
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]acetamide
CID 136734200
N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 3611587
2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
CID 5222965
2-(2,5-dichlorophenoxy)-N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3470692
2-(2,5-dichlorophenoxy)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 19189880
2-bromo-N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 135926011
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135606014
N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 4521282
3-bromo-N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 135590040
2-(2-chlorophenoxy)-N-[(Z)-(3-ethoxy-2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 136663488
N-[(Z)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135641587
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135614187

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide?
The IUPAC name of N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide (CID 135629464) is N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide is CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)c1O.
What is the InChIKey of N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide?
The InChIKey is JQPBRHYKLBVNIK-QPJQQBGISA-N. The full InChI is InChI=1S/C17H14Cl4N2O4/c1-2-26-14-6-12(20)16(21)10(17(14)25)7-22-23-15(24)8-27-13-5-9(18)3-4-11(13)19/h3-7,25H,2,8H2,1H3,(H,23,24)/b22-7+.
What are the key properties of N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide?
N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide has a molecular weight of 452.12 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 135629464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).