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

C15H12Br2N2O2 — CID 1097508

IUPACN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1cc(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)
InChIKeyAGUFGSWFEMCCNP-UHFFFAOYSA-N
MW412.08 g/mol
LogP3.61
Rot. Bonds4

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

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 1097508) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
PubChem CID1097508
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC NameN-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1cc(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)
InChIKeyAGUFGSWFEMCCNP-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide (CID 1097508) is N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)NN=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is AGUFGSWFEMCCNP-UHFFFAOYSA-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).
What are the key properties of N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide?
N-[(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-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 1097508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).