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

C15H12Br2N2O2 — CID 137125205

IUPACN-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H12Br2N2O2/c1-9(12-7-11(16)8-13(17)14(12)20)18-19-15(21)10-5-3-2-4-6-10/h2-8,20H,1H3,(H,19,21)
InChIKeyZSASRXIFYLMBHF-UHFFFAOYSA-N
MW412.08 g/mol
LogP4.07
Rot. Bonds3

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

N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 137125205) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID137125205
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC NameN-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H12Br2N2O2/c1-9(12-7-11(16)8-13(17)14(12)20)18-19-15(21)10-5-3-2-4-6-10/h2-8,20H,1H3,(H,19,21)
InChIKeyZSASRXIFYLMBHF-UHFFFAOYSA-N
XLogP4.07
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.08
LogP ≤ 54.07
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

2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137157108
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 137037552
2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol
CID 137308244
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137118645
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137153590
N-[(E)-1-(2-amino-5-methylphenyl)ethylideneamino]benzamide
CID 89329339
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332759
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
4-amino-N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135622325

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide (CID 137125205) is N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is ZSASRXIFYLMBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c1-9(12-7-11(16)8-13(17)14(12)20)18-19-15(21)10-5-3-2-4-6-10/h2-8,20H,1H3,(H,19,21).
What are the key properties of N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide?
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 412.08 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 137125205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).