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

C15H11BrClIN2O3 — CID 137064523

IUPACN-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C\c1cc(Br)c(O)c(I)c1
InChIInChI=1S/C15H11BrClIN2O3/c16-12-5-9(6-13(18)15(12)22)7-19-20-14(21)8-23-11-3-1-10(17)2-4-11/h1-7,22H,8H2,(H,20,21)/b19-7-
InChIKeyACHQMAPFUUTBJR-GXHLCREISA-N
MW509.53 g/mol
LogP3.94
Rot. Bonds5

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

N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide (PubChem CID 137064523) has the molecular formula C15H11BrClIN2O3 and a molecular weight of 509.53 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
PubChem CID137064523
Molecular FormulaC15H11BrClIN2O3
Molecular Weight509.53 g/mol
Exact Mass507.87
IUPAC NameN-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C\c1cc(Br)c(O)c(I)c1
InChIInChI=1S/C15H11BrClIN2O3/c16-12-5-9(6-13(18)15(12)22)7-19-20-14(21)8-23-11-3-1-10(17)2-4-11/h1-7,22H,8H2,(H,20,21)/b19-7-
InChIKeyACHQMAPFUUTBJR-GXHLCREISA-N
XLogP3.94
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-(4-chlorophenoxy)-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]acetamide
CID 135827922
2-(4-tert-butylphenoxy)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135643849
2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136815939
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 136659890
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135614187
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
2-(4-chlorophenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898643
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-bromophenoxy)acetamide
CID 135605759
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135719912
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 45054335
2-(4-chloro-3-methylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135531760
[4-[[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 4296831

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide (CID 137064523) is N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)N/N=C\c1cc(Br)c(O)c(I)c1.
What is the InChIKey of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The InChIKey is ACHQMAPFUUTBJR-GXHLCREISA-N. The full InChI is InChI=1S/C15H11BrClIN2O3/c16-12-5-9(6-13(18)15(12)22)7-19-20-14(21)8-23-11-3-1-10(17)2-4-11/h1-7,22H,8H2,(H,20,21)/b19-7-.
What are the key properties of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide has a molecular weight of 509.53 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 137064523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).