N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide

C17H16Cl2N2O3 — CID 19189673

IUPACN-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-2-23-12-6-8-13(9-7-12)24-11-17(22)21-20-10-14-15(18)4-3-5-16(14)19/h3-10H,2,11H2,1H3,(H,21,22)/b20-10+
InChIKeyHTRWMNCPPQAZEV-KEBDBYFISA-N
MW367.23 g/mol
LogP3.92
Rot. Bonds7

About N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide

N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide (PubChem CID 19189673) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide
PubChem CID19189673
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC NameN-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-2-23-12-6-8-13(9-7-12)24-11-17(22)21-20-10-14-15(18)4-3-5-16(14)19/h3-10H,2,11H2,1H3,(H,21,22)/b20-10+
InChIKeyHTRWMNCPPQAZEV-KEBDBYFISA-N
XLogP3.92
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 1245916
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2695109
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4253196
2-(4-tert-butylphenoxy)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 5450012
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 28589719
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 6308469
N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4164318
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
CID 19208334
[1-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6246586

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide (CID 19189673) is N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is HTRWMNCPPQAZEV-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-2-23-12-6-8-13(9-7-12)24-11-17(22)21-20-10-14-15(18)4-3-5-16(14)19/h3-10H,2,11H2,1H3,(H,21,22)/b20-10+.
What are the key properties of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide?
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 367.23 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 19189673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).