2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide

C17H16Br2N2O3 — CID 5205408

IUPAC2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
SMILESCc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)cc(C)c1O
InChIInChI=1S/C17H16Br2N2O3/c1-10-5-12(6-11(2)17(10)23)8-20-21-16(22)9-24-15-4-3-13(18)7-14(15)19/h3-8,23H,9H2,1-2H3,(H,21,22)
InChIKeyIOZOJMCXCUYULQ-UHFFFAOYSA-N
MW456.13 g/mol
LogP4.06
Rot. Bonds5

About 2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide

2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide (PubChem CID 5205408) has the molecular formula C17H16Br2N2O3 and a molecular weight of 456.13 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
PubChem CID5205408
Molecular FormulaC17H16Br2N2O3
Molecular Weight456.13 g/mol
Exact Mass453.95
IUPAC Name2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
SMILESCc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)cc(C)c1O
InChIInChI=1S/C17H16Br2N2O3/c1-10-5-12(6-11(2)17(10)23)8-20-21-16(22)9-24-15-4-3-13(18)7-14(15)19/h3-8,23H,9H2,1-2H3,(H,21,22)
InChIKeyIOZOJMCXCUYULQ-UHFFFAOYSA-N
XLogP4.06
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.13
LogP ≤ 54.06
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)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-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135719912
2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135604458
2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 5087700
2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 5089742
N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5124745
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748227
2-(4-bromo-2-methylphenoxy)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 3423084
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 3423079
2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 19189995
2-(2-bromo-4-methoxyphenoxy)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 136791869
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 135719900
2-(4-bromo-2-methylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 3422620

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide (CID 5205408) is 2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide is Cc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)cc(C)c1O.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide?
The InChIKey is IOZOJMCXCUYULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3/c1-10-5-12(6-11(2)17(10)23)8-20-21-16(22)9-24-15-4-3-13(18)7-14(15)19/h3-8,23H,9H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide?
2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide has a molecular weight of 456.13 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5205408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).