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

C15H9Cl5N2O2 — CID 3546155

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl5N2O2/c16-9-2-1-8(10(17)3-9)6-21-22-15(23)7-24-14-5-12(19)11(18)4-13(14)20/h1-6H,7H2,(H,22,23)
InChIKeyGDVDIHDLLPSBEW-UHFFFAOYSA-N
MW426.51 g/mol
LogP5.48
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 3546155) has the molecular formula C15H9Cl5N2O2 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID3546155
Molecular FormulaC15H9Cl5N2O2
Molecular Weight426.51 g/mol
Exact Mass423.91
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl5N2O2/c16-9-2-1-8(10(17)3-9)6-21-22-15(23)7-24-14-5-12(19)11(18)4-13(14)20/h1-6H,7H2,(H,22,23)
InChIKeyGDVDIHDLLPSBEW-UHFFFAOYSA-N
XLogP5.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 136794072
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1381839
2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 19165103
2-(2-tert-butylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 19165091
2-(2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 5406717
2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 7334234
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
2-(2,4-dichlorophenoxy)-N-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]acetamide
CID 94838608
N-(quinoxalin-6-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 71961721
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (CID 3546155) is N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is GDVDIHDLLPSBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl5N2O2/c16-9-2-1-8(10(17)3-9)6-21-22-15(23)7-24-14-5-12(19)11(18)4-13(14)20/h1-6H,7H2,(H,22,23).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 426.51 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 3546155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).