2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide

C18H19BrN2O2 — CID 4922546

IUPAC2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
SMILESCCc1ccc(OCC(=O)NN=CCc2ccccc2)c(Br)c1
InChIInChI=1S/C18H19BrN2O2/c1-2-14-8-9-17(16(19)12-14)23-13-18(22)21-20-11-10-15-6-4-3-5-7-15/h3-9,11-12H,2,10,13H2,1H3,(H,21,22)
InChIKeyZRIAATIWBOOYNQ-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.73
Rot. Bonds7

About 2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide

2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide (PubChem CID 4922546) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
PubChem CID4922546
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
SMILESCCc1ccc(OCC(=O)NN=CCc2ccccc2)c(Br)c1
InChIInChI=1S/C18H19BrN2O2/c1-2-14-8-9-17(16(19)12-14)23-13-18(22)21-20-11-10-15-6-4-3-5-7-15/h3-9,11-12H,2,10,13H2,1H3,(H,21,22)
InChIKeyZRIAATIWBOOYNQ-UHFFFAOYSA-N
XLogP3.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.73
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'}

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-(3-phenylpropylideneamino)acetamide
CID 4922253
2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922542
2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4628201
2-(2-bromo-4-ethylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 4628414
2-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588989
2-(2-bromo-4-ethylphenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4628409
2-(2-bromo-4-ethylphenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4627721
2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 4981068
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-bromo-4-ethylphenoxy)-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 4628191
2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
CID 2942651
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide (CID 4922546) is 2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide is CCc1ccc(OCC(=O)NN=CCc2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide?
The InChIKey is ZRIAATIWBOOYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-2-14-8-9-17(16(19)12-14)23-13-18(22)21-20-11-10-15-6-4-3-5-7-15/h3-9,11-12H,2,10,13H2,1H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide?
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide has a molecular weight of 375.27 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide is sourced from PubChem (CID 4922546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).