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

C16H15BrN2O3 — CID 1249575

IUPAC4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1O
InChIInChI=1S/C16H15BrN2O3/c1-2-22-15-9-11(3-8-14(15)20)10-18-19-16(21)12-4-6-13(17)7-5-12/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyBZGWGGJZDWKRBS-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.32
Rot. Bonds5

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

4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 1249575) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID1249575
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1O
InChIInChI=1S/C16H15BrN2O3/c1-2-22-15-9-11(3-8-14(15)20)10-18-19-16(21)12-4-6-13(17)7-5-12/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyBZGWGGJZDWKRBS-UHFFFAOYSA-N
XLogP3.32
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-bromo-N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135536325
4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 923419
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673769
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135538343
3-(4-bromophenyl)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1184999
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 801166
[4-[[(4-bromobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-ethoxybenzoate
CID 3865239
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 3808987
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135615883

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide (CID 1249575) is 4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide is CCOc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1O.
What is the InChIKey of 4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is BZGWGGJZDWKRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-2-22-15-9-11(3-8-14(15)20)10-18-19-16(21)12-4-6-13(17)7-5-12/h3-10,20H,2H2,1H3,(H,19,21).
What are the key properties of 4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 363.21 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 1249575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).