N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide

C15H12BrClN2O3 — CID 135614481

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H12BrClN2O3/c16-11-1-6-14(20)10(7-11)8-18-19-15(21)9-22-13-4-2-12(17)3-5-13/h1-8,20H,9H2,(H,19,21)/b18-8+
InChIKeyCXYQTTPYUVKCBK-QGMBQPNBSA-N
MW383.63 g/mol
LogP3.34
Rot. Bonds5

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide (PubChem CID 135614481) has the molecular formula C15H12BrClN2O3 and a molecular weight of 383.63 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
PubChem CID135614481
Molecular FormulaC15H12BrClN2O3
Molecular Weight383.63 g/mol
Exact Mass381.97
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H12BrClN2O3/c16-11-1-6-14(20)10(7-11)8-18-19-15(21)9-22-13-4-2-12(17)3-5-13/h1-8,20H,9H2,(H,19,21)/b18-8+
InChIKeyCXYQTTPYUVKCBK-QGMBQPNBSA-N
XLogP3.34
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide (CID 135614481) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The InChIKey is CXYQTTPYUVKCBK-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H12BrClN2O3/c16-11-1-6-14(20)10(7-11)8-18-19-15(21)9-22-13-4-2-12(17)3-5-13/h1-8,20H,9H2,(H,19,21)/b18-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide has a molecular weight of 383.63 g/mol, XLogP of 3.34, 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-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 135614481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).