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

C16H15BrN2O3 — CID 1356754

IUPAC4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cccc(C=NNC(=O)c2ccc(Br)cc2)c1O
InChIInChI=1S/C16H15BrN2O3/c1-2-22-14-5-3-4-12(15(14)20)10-18-19-16(21)11-6-8-13(17)9-7-11/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyFNSKAICLNGSUEE-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.32
Rot. Bonds5

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

4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 1356754) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID1356754
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cccc(C=NNC(=O)c2ccc(Br)cc2)c1O
InChIInChI=1S/C16H15BrN2O3/c1-2-22-14-5-3-4-12(15(14)20)10-18-19-16(21)11-6-8-13(17)9-7-11/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyFNSKAICLNGSUEE-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_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

4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135642919
4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576771
3-(4-bromophenyl)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135648502
5-bromo-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135489071
2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 136787439
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 135458900
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 139083037
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide (CID 1356754) is 4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide is CCOc1cccc(C=NNC(=O)c2ccc(Br)cc2)c1O.
What is the InChIKey of 4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is FNSKAICLNGSUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-2-22-14-5-3-4-12(15(14)20)10-18-19-16(21)11-6-8-13(17)9-7-11/h3-10,20H,2H2,1H3,(H,19,21).
What are the key properties of 4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
4-bromo-N-[(3-ethoxy-2-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-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 1356754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).