N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide

C15H10Br3IN2O3 — CID 135679327

IUPACN-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
SMILESO=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(O)c(I)c1
InChIInChI=1S/C15H10Br3IN2O3/c16-9-4-10(17)15(11(18)5-9)24-7-14(23)21-20-6-8-1-2-13(22)12(19)3-8/h1-6,22H,7H2,(H,21,23)/b20-6+
InChIKeyFOLBFPRGCAJDRQ-CGOBSMCZSA-N
MW632.87 g/mol
LogP4.81
Rot. Bonds5

About N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide

N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide (PubChem CID 135679327) has the molecular formula C15H10Br3IN2O3 and a molecular weight of 632.87 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
PubChem CID135679327
Molecular FormulaC15H10Br3IN2O3
Molecular Weight632.87 g/mol
Exact Mass629.73
IUPAC NameN-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
SMILESO=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(O)c(I)c1
InChIInChI=1S/C15H10Br3IN2O3/c16-9-4-10(17)15(11(18)5-9)24-7-14(23)21-20-6-8-1-2-13(22)12(19)3-8/h1-6,22H,7H2,(H,21,23)/b20-6+
InChIKeyFOLBFPRGCAJDRQ-CGOBSMCZSA-N
XLogP4.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.87
LogP ≤ 54.81
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-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 3928116
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 3823669
2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136815939
2-(2,4-dibromo-6-methylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135560414
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135717336
2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 136718750
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135619927
2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 1034891
2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 135643998
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide
CID 4027319
2-(4-bromophenoxy)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136749235
[4-[[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 2850666

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide (CID 135679327) is N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(O)c(I)c1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
The InChIKey is FOLBFPRGCAJDRQ-CGOBSMCZSA-N. The full InChI is InChI=1S/C15H10Br3IN2O3/c16-9-4-10(17)15(11(18)5-9)24-7-14(23)21-20-6-8-1-2-13(22)12(19)3-8/h1-6,22H,7H2,(H,21,23)/b20-6+.
What are the key properties of N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide?
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide has a molecular weight of 632.87 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is sourced from PubChem (CID 135679327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).