2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide

C16H13Br2IN2O3 — CID 4027319

IUPAC2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide
SMILESCOc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cccc(I)c1
InChIInChI=1S/C16H13Br2IN2O3/c1-23-14-7-11(17)6-13(18)16(14)24-9-15(22)21-20-8-10-3-2-4-12(19)5-10/h2-8H,9H2,1H3,(H,21,22)
InChIKeyDOCQEWMMKHQRDW-UHFFFAOYSA-N
MW568.00 g/mol
LogP4.35
Rot. Bonds6

About 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide

2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide (PubChem CID 4027319) has the molecular formula C16H13Br2IN2O3 and a molecular weight of 568.00 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide
PubChem CID4027319
Molecular FormulaC16H13Br2IN2O3
Molecular Weight568.00 g/mol
Exact Mass565.83
IUPAC Name2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide
SMILESCOc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cccc(I)c1
InChIInChI=1S/C16H13Br2IN2O3/c1-23-14-7-11(17)6-13(18)16(14)24-9-15(22)21-20-8-10-3-2-4-12(19)5-10/h2-8H,9H2,1H3,(H,21,22)
InChIKeyDOCQEWMMKHQRDW-UHFFFAOYSA-N
XLogP4.35
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.00
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-benzoyloxy-4-[(E)-[[2-(2,4-dibromo-6-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 171980794
N-[(E)-(5-bromo-2,3,4-trihydroxyphenyl)methylideneamino]-2-(2,4-dibromo-6-methoxyphenoxy)acetamide
CID 135479546
[4-[[[2-(2,4-dibromo-6-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 3958661
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136749314
N-[(E)-(2,3-dibromo-4,5-dihydroxyphenyl)methylideneamino]-2-(2,4-dibromo-6-methoxyphenoxy)acetamide
CID 135479543
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 135679327
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19183354
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3980653
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19190612
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135717336
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748227
2-[2,4-dibromo-6-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6300600

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide (CID 4027319) is 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide is COc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cccc(I)c1.
What is the InChIKey of 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide?
The InChIKey is DOCQEWMMKHQRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2IN2O3/c1-23-14-7-11(17)6-13(18)16(14)24-9-15(22)21-20-8-10-3-2-4-12(19)5-10/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide?
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide has a molecular weight of 568.00 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4027319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).