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

C15H10Cl4N2O2 — CID 4119361

IUPACN-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl4N2O2/c16-10-3-1-9(2-4-10)7-20-21-15(22)8-23-14-6-12(18)11(17)5-13(14)19/h1-7H,8H2,(H,21,22)
InChIKeyLRDZTJBKUUFBNU-UHFFFAOYSA-N
MW392.07 g/mol
LogP4.83
Rot. Bonds5

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

N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 4119361) has the molecular formula C15H10Cl4N2O2 and a molecular weight of 392.07 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID4119361
Molecular FormulaC15H10Cl4N2O2
Molecular Weight392.07 g/mol
Exact Mass389.95
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl4N2O2/c16-10-3-1-9(2-4-10)7-20-21-15(22)8-23-14-6-12(18)11(17)5-13(14)19/h1-7H,8H2,(H,21,22)
InChIKeyLRDZTJBKUUFBNU-UHFFFAOYSA-N
XLogP4.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 54.83
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-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4164318
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3546155
N-(quinoxalin-6-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 71961721
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961
N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 3457585
2-(2,5-dichlorophenoxy)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 19189880
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 6174342
N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4547272
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5348553
2-(2,5-dichlorophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 1283615
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 136794072

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (CID 4119361) is N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is LRDZTJBKUUFBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2O2/c16-10-3-1-9(2-4-10)7-20-21-15(22)8-23-14-6-12(18)11(17)5-13(14)19/h1-7H,8H2,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 392.07 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 4119361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).