N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide

C15H12Br2N2O3 — CID 135419615

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
SMILESO=C(COc1cccc(Br)c1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H12Br2N2O3/c16-11-2-1-3-13(7-11)22-9-15(21)19-18-8-10-6-12(17)4-5-14(10)20/h1-8,20H,9H2,(H,19,21)/b18-8+
InChIKeyFBAINPMUWMPAGX-QGMBQPNBSA-N
MW428.08 g/mol
LogP3.45
Rot. Bonds5

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide (PubChem CID 135419615) has the molecular formula C15H12Br2N2O3 and a molecular weight of 428.08 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
PubChem CID135419615
Molecular FormulaC15H12Br2N2O3
Molecular Weight428.08 g/mol
Exact Mass425.92
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
SMILESO=C(COc1cccc(Br)c1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H12Br2N2O3/c16-11-2-1-3-13(7-11)22-9-15(21)19-18-8-10-6-12(17)4-5-14(10)20/h1-8,20H,9H2,(H,19,21)/b18-8+
InChIKeyFBAINPMUWMPAGX-QGMBQPNBSA-N
XLogP3.45
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.08
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-(3-bromophenoxy)-N-[(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 2641940
2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4216136
2-(3-bromophenoxy)-N-[(E)-(2,3-dibromo-4,5-dihydroxyphenyl)methylideneamino]acetamide
CID 135715886
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-hydroxyphenoxy)acetamide
CID 136732387
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135683134
2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 7738182
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 598847
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 135604322
2-(3-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135533115
N-[[5-[(3-bromophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 3918115
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 3423079
2-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide (CID 135419615) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide is O=C(COc1cccc(Br)c1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide?
The InChIKey is FBAINPMUWMPAGX-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H12Br2N2O3/c16-11-2-1-3-13(7-11)22-9-15(21)19-18-8-10-6-12(17)4-5-14(10)20/h1-8,20H,9H2,(H,19,21)/b18-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide has a molecular weight of 428.08 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide is sourced from PubChem (CID 135419615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).