2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide

C17H16BrIN2O3 — CID 3928116

IUPAC2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(OCC(=O)NN=Cc2ccc(O)c(I)c2)c(Br)c1
InChIInChI=1S/C17H16BrIN2O3/c1-10-5-11(2)17(13(18)6-10)24-9-16(23)21-20-8-12-3-4-15(22)14(19)7-12/h3-8,22H,9H2,1-2H3,(H,21,23)
InChIKeyOYRFQDMUDYHAEP-UHFFFAOYSA-N
MW503.13 g/mol
LogP3.91
Rot. Bonds5

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

2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide (PubChem CID 3928116) has the molecular formula C17H16BrIN2O3 and a molecular weight of 503.13 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
PubChem CID3928116
Molecular FormulaC17H16BrIN2O3
Molecular Weight503.13 g/mol
Exact Mass501.94
IUPAC Name2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(OCC(=O)NN=Cc2ccc(O)c(I)c2)c(Br)c1
InChIInChI=1S/C17H16BrIN2O3/c1-10-5-11(2)17(13(18)6-10)24-9-16(23)21-20-8-12-3-4-15(22)14(19)7-12/h3-8,22H,9H2,1-2H3,(H,21,23)
InChIKeyOYRFQDMUDYHAEP-UHFFFAOYSA-N
XLogP3.91
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.13
LogP ≤ 53.91
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'}

Analyze 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4,6-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135644402
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 135679327
2-(2,6-dibromo-4-methylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136815939
2-(2-bromo-4,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 28628688
2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 1034891
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135619927
2-(2,4-dibromo-6-methylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135560414
2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 135643998
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135716591
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135881814
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
CID 136791946
2-(2-bromo-4,6-dimethylphenoxy)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]acetamide
CID 5434198

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide (CID 3928116) is 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide is Cc1cc(C)c(OCC(=O)NN=Cc2ccc(O)c(I)c2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
The InChIKey is OYRFQDMUDYHAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrIN2O3/c1-10-5-11(2)17(13(18)6-10)24-9-16(23)21-20-8-12-3-4-15(22)14(19)7-12/h3-8,22H,9H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide has a molecular weight of 503.13 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 3928116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).