N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide

C17H16Br2N2O3 — CID 136659890

IUPACN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C17H16Br2N2O3/c1-2-11-3-5-13(6-4-11)24-10-16(22)21-20-9-12-7-14(18)17(23)15(19)8-12/h3-9,23H,2,10H2,1H3,(H,21,22)
InChIKeyVNCLEPRCWMCPPK-UHFFFAOYSA-N
MW456.13 g/mol
LogP4.01
Rot. Bonds6

About N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide

N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide (PubChem CID 136659890) has the molecular formula C17H16Br2N2O3 and a molecular weight of 456.13 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
PubChem CID136659890
Molecular FormulaC17H16Br2N2O3
Molecular Weight456.13 g/mol
Exact Mass453.95
IUPAC NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C17H16Br2N2O3/c1-2-11-3-5-13(6-4-11)24-10-16(22)21-20-9-12-7-14(18)17(23)15(19)8-12/h3-9,23H,2,10H2,1H3,(H,21,22)
InChIKeyVNCLEPRCWMCPPK-UHFFFAOYSA-N
XLogP4.01
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.13
LogP ≤ 54.01
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'}

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Related Compounds

N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168024
2-(4-tert-butylphenoxy)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135643849
N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19189565
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-bromophenoxy)acetamide
CID 135605759
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 136511083
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135719912
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416702
2-(2-bromo-4-ethylphenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4628409
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416713
N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 137064523
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide (CID 136659890) is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1.
What is the InChIKey of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The InChIKey is VNCLEPRCWMCPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3/c1-2-11-3-5-13(6-4-11)24-10-16(22)21-20-9-12-7-14(18)17(23)15(19)8-12/h3-9,23H,2,10H2,1H3,(H,21,22).
What are the key properties of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide has a molecular weight of 456.13 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 136659890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).