2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide

C21H19BrN2O3 — CID 135479558

IUPAC2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(O)c(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c1
InChIInChI=1S/C21H19BrN2O3/c1-2-27-16-8-10-20(25)15(11-16)13-23-24-21(26)12-14-7-9-19(22)18-6-4-3-5-17(14)18/h3-11,13,25H,2,12H2,1H3,(H,24,26)/b23-13+
InChIKeyPUZQHKXFCOUFEG-YDZHTSKRSA-N
MW427.30 g/mol
LogP4.40
Rot. Bonds6

About 2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide

2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135479558) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135479558
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(O)c(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c1
InChIInChI=1S/C21H19BrN2O3/c1-2-27-16-8-10-20(25)15(11-16)13-23-24-21(26)12-14-7-9-19(22)18-6-4-3-5-17(14)18/h3-11,13,25H,2,12H2,1H3,(H,24,26)/b23-13+
InChIKeyPUZQHKXFCOUFEG-YDZHTSKRSA-N
XLogP4.40
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.40
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

N-[(Z)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 136664015
2-(4-bromonaphthalen-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135420112
2-(4-bromonaphthalen-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135479555
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136802210
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 5457924
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 6161024
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 136720663
2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide
CID 4035780
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide
CID 137145842
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3297181
2-[2-[(E)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5344196
2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide
CID 136814303

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide (CID 135479558) is 2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide is CCOc1ccc(O)c(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c1.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is PUZQHKXFCOUFEG-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-2-27-16-8-10-20(25)15(11-16)13-23-24-21(26)12-14-7-9-19(22)18-6-4-3-5-17(14)18/h3-11,13,25H,2,12H2,1H3,(H,24,26)/b23-13+.
What are the key properties of 2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide?
2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 427.30 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135479558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).