N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide

C17H15Cl3N2O3 — CID 4164318

IUPACN-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCCOc1ccc(C=NNC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl3N2O3/c1-2-24-12-5-3-11(4-6-12)9-21-22-17(23)10-25-16-8-14(19)13(18)7-15(16)20/h3-9H,2,10H2,1H3,(H,22,23)
InChIKeyYBYDWMHBRWMUSK-UHFFFAOYSA-N
MW401.68 g/mol
LogP4.57
Rot. Bonds7

About N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide

N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 4164318) has the molecular formula C17H15Cl3N2O3 and a molecular weight of 401.68 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID4164318
Molecular FormulaC17H15Cl3N2O3
Molecular Weight401.68 g/mol
Exact Mass400.01
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESCCOc1ccc(C=NNC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl3N2O3/c1-2-24-12-5-3-11(4-6-12)9-21-22-17(23)10-25-16-8-14(19)13(18)7-15(16)20/h3-9H,2,10H2,1H3,(H,22,23)
InChIKeyYBYDWMHBRWMUSK-UHFFFAOYSA-N
XLogP4.57
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4631725
N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 6308469
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
2-(2-bromo-4-ethylphenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4628409
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 19208342
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922539
N-(quinoxalin-6-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 71961721
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-ethoxyphenyl)methylideneamino]propanediamide
CID 5440770
N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 3457585

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (CID 4164318) is N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is CCOc1ccc(C=NNC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is YBYDWMHBRWMUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O3/c1-2-24-12-5-3-11(4-6-12)9-21-22-17(23)10-25-16-8-14(19)13(18)7-15(16)20/h3-9H,2,10H2,1H3,(H,22,23).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 401.68 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 4164318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).