4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide

C16H14Br2N2O3 — CID 135642919

IUPAC4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)c1O
InChIInChI=1S/C16H14Br2N2O3/c1-2-23-14-8-13(18)7-11(15(14)21)9-19-20-16(22)10-3-5-12(17)6-4-10/h3-9,21H,2H2,1H3,(H,20,22)/b19-9-
InChIKeyRLRRGXHBODWPHJ-OCKHKDLRSA-N
MW442.11 g/mol
LogP4.08
Rot. Bonds5

About 4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide

4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135642919) has the molecular formula C16H14Br2N2O3 and a molecular weight of 442.11 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135642919
Molecular FormulaC16H14Br2N2O3
Molecular Weight442.11 g/mol
Exact Mass439.94
IUPAC Name4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)c1O
InChIInChI=1S/C16H14Br2N2O3/c1-2-23-14-8-13(18)7-11(15(14)21)9-19-20-16(22)10-3-5-12(17)6-4-10/h3-9,21H,2H2,1H3,(H,20,22)/b19-9-
InChIKeyRLRRGXHBODWPHJ-OCKHKDLRSA-N
XLogP4.08
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.11
LogP ≤ 54.08
H-Bond Donors ≤ 52
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'}

Analyze 4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 1356754
N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080251
4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 172960317
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 137160331
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 1249575
4-bromo-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135504175
N-[(Z)-3-[2-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 137206909
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 137045325
N-[(E)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126324715
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 51391605
3-bromo-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135579634

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide (CID 135642919) is 4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide is CCOc1cc(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)c1O.
What is the InChIKey of 4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is RLRRGXHBODWPHJ-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14Br2N2O3/c1-2-23-14-8-13(18)7-11(15(14)21)9-19-20-16(22)10-3-5-12(17)6-4-10/h3-9,21H,2H2,1H3,(H,20,22)/b19-9-.
What are the key properties of 4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 442.11 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135642919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).