2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide

C22H21BrN2O2 — CID 41290473

IUPAC2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
SMILESCCc1ccc(/C(C)=N/NC(=O)COc2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C22H21BrN2O2/c1-3-16-8-10-17(11-9-16)15(2)24-25-22(26)14-27-21-13-12-20(23)18-6-4-5-7-19(18)21/h4-13H,3,14H2,1-2H3,(H,25,26)/b24-15+
InChIKeyKVWGCJDSKNBGOO-BUVRLJJBSA-N
MW425.33 g/mol
LogP5.08
Rot. Bonds6

About 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide

2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide (PubChem CID 41290473) has the molecular formula C22H21BrN2O2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
PubChem CID41290473
Molecular FormulaC22H21BrN2O2
Molecular Weight425.33 g/mol
Exact Mass424.08
IUPAC Name2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
SMILESCCc1ccc(/C(C)=N/NC(=O)COc2ccc(Br)c3ccccc23)cc1
InChIInChI=1S/C22H21BrN2O2/c1-3-16-8-10-17(11-9-16)15(2)24-25-22(26)14-27-21-13-12-20(23)18-6-4-5-7-19(18)21/h4-13H,3,14H2,1-2H3,(H,25,26)/b24-15+
InChIKeyKVWGCJDSKNBGOO-BUVRLJJBSA-N
XLogP5.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide 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

2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide
CID 1153983
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
2-naphthalen-1-yloxy-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5404956
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-phenylacetamide
CID 6343025
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 4553422
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043
2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 7334037
2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 6246040
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821
2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 4632189
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3468088

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide (CID 41290473) is 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide is CCc1ccc(/C(C)=N/NC(=O)COc2ccc(Br)c3ccccc23)cc1.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide?
The InChIKey is KVWGCJDSKNBGOO-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H21BrN2O2/c1-3-16-8-10-17(11-9-16)15(2)24-25-22(26)14-27-21-13-12-20(23)18-6-4-5-7-19(18)21/h4-13H,3,14H2,1-2H3,(H,25,26)/b24-15+.
What are the key properties of 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide?
2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide has a molecular weight of 425.33 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 41290473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).