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

C15H12Br2N2O4 — CID 135867738

IUPACN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C15H12Br2N2O4/c16-11-6-9(14(22)13(17)15(11)23)7-18-19-12(21)5-8-1-3-10(20)4-2-8/h1-4,6-7,20,22-23H,5H2,(H,19,21)/b18-7+
InChIKeyVEPSOIKDRSPCRX-CNHKJKLMSA-N
MW444.08 g/mol
LogP3.02
Rot. Bonds4

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

N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide (PubChem CID 135867738) has the molecular formula C15H12Br2N2O4 and a molecular weight of 444.08 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
PubChem CID135867738
Molecular FormulaC15H12Br2N2O4
Molecular Weight444.08 g/mol
Exact Mass441.92
IUPAC NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1O
InChIInChI=1S/C15H12Br2N2O4/c16-11-6-9(14(22)13(17)15(11)23)7-18-19-12(21)5-8-1-3-10(20)4-2-8/h1-4,6-7,20,22-23H,5H2,(H,19,21)/b18-7+
InChIKeyVEPSOIKDRSPCRX-CNHKJKLMSA-N
XLogP3.02
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.08
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide (CID 135867738) is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1O.
What is the InChIKey of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is VEPSOIKDRSPCRX-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H12Br2N2O4/c16-11-6-9(14(22)13(17)15(11)23)7-18-19-12(21)5-8-1-3-10(20)4-2-8/h1-4,6-7,20,22-23H,5H2,(H,19,21)/b18-7+.
What are the key properties of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 444.08 g/mol, XLogP of 3.02, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 135867738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).