N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

C15H10BrCl2IN2O3 — CID 136909116

IUPACN-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc(Br)cc(I)c1O
InChIInChI=1S/C15H10BrCl2IN2O3/c16-9-3-8(15(23)12(19)4-9)6-20-21-14(22)7-24-13-2-1-10(17)5-11(13)18/h1-6,23H,7H2,(H,21,22)/b20-6-
InChIKeyBZIKPNBWTBRHCB-IOXNKQMXSA-N
MW543.97 g/mol
LogP4.60
Rot. Bonds5

About N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 136909116) has the molecular formula C15H10BrCl2IN2O3 and a molecular weight of 543.97 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID136909116
Molecular FormulaC15H10BrCl2IN2O3
Molecular Weight543.97 g/mol
Exact Mass541.83
IUPAC NameN-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc(Br)cc(I)c1O
InChIInChI=1S/C15H10BrCl2IN2O3/c16-9-3-8(15(23)12(19)4-9)6-20-21-14(22)7-24-13-2-1-10(17)5-11(13)18/h1-6,23H,7H2,(H,21,22)/b20-6-
InChIKeyBZIKPNBWTBRHCB-IOXNKQMXSA-N
XLogP4.60
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.97
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 135479458
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(4-chloro-2-nitrophenoxy)acetamide
CID 135628792
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1244687
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135678479
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 136695896
[4-bromo-2-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 3973444
2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 136718750
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135644038
2-(2,4-dichlorophenoxy)-N-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]acetamide
CID 94838608
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135699251
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135555046

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide (CID 136909116) is N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc(Br)cc(I)c1O.
What is the InChIKey of N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is BZIKPNBWTBRHCB-IOXNKQMXSA-N. The full InChI is InChI=1S/C15H10BrCl2IN2O3/c16-9-3-8(15(23)12(19)4-9)6-20-21-14(22)7-24-13-2-1-10(17)5-11(13)18/h1-6,23H,7H2,(H,21,22)/b20-6-.
What are the key properties of N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 543.97 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 136909116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).