N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide

C15H10BrCl3N2O2 — CID 4547272

IUPACN-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1cccc(Br)c1
InChIInChI=1S/C15H10BrCl3N2O2/c16-10-3-1-2-9(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)
InChIKeyQOIRHGLMAADWIQ-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.94
Rot. Bonds5

About N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide

N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 4547272) has the molecular formula C15H10BrCl3N2O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID4547272
Molecular FormulaC15H10BrCl3N2O2
Molecular Weight436.52 g/mol
Exact Mass433.90
IUPAC NameN-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1cccc(Br)c1
InChIInChI=1S/C15H10BrCl3N2O2/c16-10-3-1-2-9(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)
InChIKeyQOIRHGLMAADWIQ-UHFFFAOYSA-N
XLogP4.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.94
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-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 43948593
N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-[(3-phenylmethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3537489
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7038077
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4175101
N-(quinoxalin-6-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 71961721
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 3457585
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 136794072
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
2-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide (CID 4547272) is N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is QOIRHGLMAADWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl3N2O2/c16-10-3-1-2-9(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-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 436.52 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 4547272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).