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

C15H12Br2N2O2 — CID 135443041

IUPACN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H12Br2N2O2/c16-12-7-11(15(21)13(17)8-12)9-18-19-14(20)6-10-4-2-1-3-5-10/h1-5,7-9,21H,6H2,(H,19,20)/b18-9+
InChIKeyAGUFGSWFEMCCNP-GIJQJNRQSA-N
MW412.08 g/mol
LogP3.61
Rot. Bonds4

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

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 135443041) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
PubChem CID135443041
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H12Br2N2O2/c16-12-7-11(15(21)13(17)8-12)9-18-19-14(20)6-10-4-2-1-3-5-10/h1-5,7-9,21H,6H2,(H,19,20)/b18-9+
InChIKeyAGUFGSWFEMCCNP-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_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

3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867733
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-ethyl-2-hydroxybutanehydrazide
CID 135479716
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
5-Bromo-2-hydroxy-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135419609
N'-(5-bromo-2-hydroxybenzylidene)-4-methylbenzohydrazide
CID 135604313
N'-(5-Bromo-2-hydroxybenzylidene)acetohydrazide
CID 135627846
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
Carbohydrazide derivative, 3h
CID 135579261
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 285507

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide (CID 135443041) is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is AGUFGSWFEMCCNP-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c16-12-7-11(15(21)13(17)8-12)9-18-19-14(20)6-10-4-2-1-3-5-10/h1-5,7-9,21H,6H2,(H,19,20)/b18-9+.
What are the key properties of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(3,5-dibromo-2-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-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 135443041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).