2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide

C22H21BrN2O3 — CID 6161024

IUPAC2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N\NC(=O)Cc2ccc(Br)c3ccccc23)cc1OC
InChIInChI=1S/C22H21BrN2O3/c1-3-28-20-11-8-15(12-21(20)27-2)14-24-25-22(26)13-16-9-10-19(23)18-7-5-4-6-17(16)18/h4-12,14H,3,13H2,1-2H3,(H,25,26)/b24-14-
InChIKeyGNJMBBIGEPVCGV-OYKKKHCWSA-N
MW441.33 g/mol
LogP4.70
Rot. Bonds7

About 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide

2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 6161024) has the molecular formula C22H21BrN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID6161024
Molecular FormulaC22H21BrN2O3
Molecular Weight441.33 g/mol
Exact Mass440.07
IUPAC Name2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(/C=N\NC(=O)Cc2ccc(Br)c3ccccc23)cc1OC
InChIInChI=1S/C22H21BrN2O3/c1-3-28-20-11-8-15(12-21(20)27-2)14-24-25-22(26)13-16-9-10-19(23)18-7-5-4-6-17(16)18/h4-12,14H,3,13H2,1-2H3,(H,25,26)/b24-14-
InChIKeyGNJMBBIGEPVCGV-OYKKKHCWSA-N
XLogP4.70
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromonaphthalen-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135420112
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 136829443
2-(3,4-dimethoxyphenyl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 7342212
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 5457924
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19190612
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3627606
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19208361
2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135479558

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide (CID 6161024) is 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide is CCOc1ccc(/C=N\NC(=O)Cc2ccc(Br)c3ccccc23)cc1OC.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is GNJMBBIGEPVCGV-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H21BrN2O3/c1-3-28-20-11-8-15(12-21(20)27-2)14-24-25-22(26)13-16-9-10-19(23)18-7-5-4-6-17(16)18/h4-12,14H,3,13H2,1-2H3,(H,25,26)/b24-14-.
What are the key properties of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 441.33 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6161024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).