N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide

C15H8Br3Cl3N2O3 — CID 5209951

IUPACN-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESO=C(COc1c(Cl)cc(Cl)cc1Cl)NN=Cc1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C15H8Br3Cl3N2O3/c16-8-3-9(17)14(25)13(18)7(8)4-22-23-12(24)5-26-15-10(20)1-6(19)2-11(15)21/h1-4,25H,5H2,(H,23,24)
InChIKeyMWQVTQUXBJMTSH-UHFFFAOYSA-N
MW610.31 g/mol
LogP6.17
Rot. Bonds5

About N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide

N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide (PubChem CID 5209951) has the molecular formula C15H8Br3Cl3N2O3 and a molecular weight of 610.31 g/mol. Its IUPAC name is N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
PubChem CID5209951
Molecular FormulaC15H8Br3Cl3N2O3
Molecular Weight610.31 g/mol
Exact Mass605.72
IUPAC NameN-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESO=C(COc1c(Cl)cc(Cl)cc1Cl)NN=Cc1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C15H8Br3Cl3N2O3/c16-8-3-9(17)14(25)13(18)7(8)4-22-23-12(24)5-26-15-10(20)1-6(19)2-11(15)21/h1-4,25H,5H2,(H,23,24)
InChIKeyMWQVTQUXBJMTSH-UHFFFAOYSA-N
XLogP6.17
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.31
LogP ≤ 56.17
H-Bond Donors ≤ 52
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

N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 44615960
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
CID 94842273
2-(2,3-dimethylphenoxy)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
CID 71950391
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 136720696
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135822484
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135678479
N-(1H-pyrrol-2-ylmethylideneamino)-2-(2,4,6-trichlorophenoxy)acetamide
CID 137139966
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 135999136
2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
CID 2249798
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 2265655
2-(2-bromo-4-methylphenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135560356
2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 4628191

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
The IUPAC name of N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide (CID 5209951) is N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide is O=C(COc1c(Cl)cc(Cl)cc1Cl)NN=Cc1c(Br)cc(Br)c(O)c1Br.
What is the InChIKey of N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
The InChIKey is MWQVTQUXBJMTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br3Cl3N2O3/c16-8-3-9(17)14(25)13(18)7(8)4-22-23-12(24)5-26-15-10(20)1-6(19)2-11(15)21/h1-4,25H,5H2,(H,23,24).
What are the key properties of N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide has a molecular weight of 610.31 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide is sourced from PubChem (CID 5209951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).