N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide

C15H12Br2N2O3 — CID 137037552

IUPACN-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1ccccc1O)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H12Br2N2O3/c1-8(11-6-9(16)7-12(17)14(11)21)18-19-15(22)10-4-2-3-5-13(10)20/h2-7,20-21H,1H3,(H,19,22)
InChIKeyXLMMUSXMHCNPDZ-UHFFFAOYSA-N
MW428.08 g/mol
LogP3.78
Rot. Bonds3

About N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide

N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 137037552) has the molecular formula C15H12Br2N2O3 and a molecular weight of 428.08 g/mol. Its IUPAC name is N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
PubChem CID137037552
Molecular FormulaC15H12Br2N2O3
Molecular Weight428.08 g/mol
Exact Mass425.92
IUPAC NameN-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1ccccc1O)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H12Br2N2O3/c1-8(11-6-9(16)7-12(17)14(11)21)18-19-15(22)10-4-2-3-5-13(10)20/h2-7,20-21H,1H3,(H,19,22)
InChIKeyXLMMUSXMHCNPDZ-UHFFFAOYSA-N
XLogP3.78
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.08
LogP ≤ 53.78
H-Bond Donors ≤ 53
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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Related Compounds

2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137157108
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137125205
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol
CID 137308244
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 5409813
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide (CID 137037552) is N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide is CC(=NNC(=O)c1ccccc1O)c1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is XLMMUSXMHCNPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O3/c1-8(11-6-9(16)7-12(17)14(11)21)18-19-15(22)10-4-2-3-5-13(10)20/h2-7,20-21H,1H3,(H,19,22).
What are the key properties of N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide?
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 428.08 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 137037552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).