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

C15H12Br2N2O2 — CID 135504478

IUPACN-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2N2O2/c16-12-6-11(7-13(17)15(12)21)9-18-19-14(20)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2,(H,19,20)/b18-9+
InChIKeyZNFPUYWZKMPDIX-GIJQJNRQSA-N
MW412.08 g/mol
LogP3.61
Rot. Bonds4

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

N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 135504478) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
PubChem CID135504478
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC NameN-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2N2O2/c16-12-6-11(7-13(17)15(12)21)9-18-19-14(20)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2,(H,19,20)/b18-9+
InChIKeyZNFPUYWZKMPDIX-GIJQJNRQSA-N
XLogP3.61
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.08
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135443041
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-(trifluoromethyl)benzohydrazide
CID 135517032
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 285507
N'-(5-bromo-2-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 135517170
4-bromo-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135569113
3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361940
N'-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579277
Carbohydrazide derivative, 3r
CID 135867738
(4-Methoxy-phenyl)-acetic acid (3,5-dibromo-4-hydroxy-benzylidene)-hydrazide
CID 135452797
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 135676088

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide (CID 135504478) is N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is ZNFPUYWZKMPDIX-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c16-12-6-11(7-13(17)15(12)21)9-18-19-14(20)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2,(H,19,20)/b18-9+.
What are the key properties of N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 412.08 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 135504478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).