N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

C17H15BrCl2N2O4 — CID 4521282

IUPACN-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESCCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1O
InChIInChI=1S/C17H15BrCl2N2O4/c1-2-25-15-6-10(5-12(18)17(15)24)8-21-22-16(23)9-26-14-4-3-11(19)7-13(14)20/h3-8,24H,2,9H2,1H3,(H,22,23)
InChIKeyHWJCVCHYDHTQMV-UHFFFAOYSA-N
MW462.13 g/mol
LogP4.39
Rot. Bonds7

About N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 4521282) has the molecular formula C17H15BrCl2N2O4 and a molecular weight of 462.13 g/mol. Its IUPAC name is N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID4521282
Molecular FormulaC17H15BrCl2N2O4
Molecular Weight462.13 g/mol
Exact Mass459.96
IUPAC NameN-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESCCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1O
InChIInChI=1S/C17H15BrCl2N2O4/c1-2-25-15-6-10(5-12(18)17(15)24)8-21-22-16(23)9-26-14-4-3-11(19)7-13(14)20/h3-8,24H,2,9H2,1H3,(H,22,23)
InChIKeyHWJCVCHYDHTQMV-UHFFFAOYSA-N
XLogP4.39
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.13
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135606014
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 135605761
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135614187
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 135873416
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 135825113
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 135825107
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-bromophenoxy)acetamide
CID 135605759
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 3286053
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135614407
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135825097
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 136726879

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide (CID 4521282) is N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1O.
What is the InChIKey of N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is HWJCVCHYDHTQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2N2O4/c1-2-25-15-6-10(5-12(18)17(15)24)8-21-22-16(23)9-26-14-4-3-11(19)7-13(14)20/h3-8,24H,2,9H2,1H3,(H,22,23).
What are the key properties of N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 462.13 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 4521282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).