N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide

C16H12BrCl3N2O2 — CID 46501069

IUPACN-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C16H12BrCl3N2O2/c1-9(10-3-2-4-11(17)5-10)21-22-15(23)8-24-16-13(19)6-12(18)7-14(16)20/h2-7H,8H2,1H3,(H,22,23)/b21-9+
InChIKeyAXZSWLGPHVMUKP-ZVBGSRNCSA-N
MW450.55 g/mol
LogP5.33
Rot. Bonds5

About N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide

N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide (PubChem CID 46501069) has the molecular formula C16H12BrCl3N2O2 and a molecular weight of 450.55 g/mol. Its IUPAC name is N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
PubChem CID46501069
Molecular FormulaC16H12BrCl3N2O2
Molecular Weight450.55 g/mol
Exact Mass447.91
IUPAC NameN-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESC/C(=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C16H12BrCl3N2O2/c1-9(10-3-2-4-11(17)5-10)21-22-15(23)8-24-16-13(19)6-12(18)7-14(16)20/h2-7H,8H2,1H3,(H,22,23)/b21-9+
InChIKeyAXZSWLGPHVMUKP-ZVBGSRNCSA-N
XLogP5.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(3-bromophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3694594
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 4632189
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 6027225
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 909276
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 3306494
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
The IUPAC name of N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide (CID 46501069) is N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide is C/C(=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1cccc(Br)c1.
What is the InChIKey of N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
The InChIKey is AXZSWLGPHVMUKP-ZVBGSRNCSA-N. The full InChI is InChI=1S/C16H12BrCl3N2O2/c1-9(10-3-2-4-11(17)5-10)21-22-15(23)8-24-16-13(19)6-12(18)7-14(16)20/h2-7H,8H2,1H3,(H,22,23)/b21-9+.
What are the key properties of N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide?
N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide has a molecular weight of 450.55 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide is sourced from PubChem (CID 46501069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).