2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide

C19H20BrNO3 — CID 17086692

IUPAC2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cccc(NC(=O)COc2ccc(CC)cc2Br)c1
InChIInChI=1S/C19H20BrNO3/c1-3-10-23-16-7-5-6-15(12-16)21-19(22)13-24-18-9-8-14(4-2)11-17(18)20/h3,5-9,11-12H,1,4,10,13H2,2H3,(H,21,22)
InChIKeyREDKJAPQWDVERD-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.59
Rot. Bonds8

About 2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide

2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide (PubChem CID 17086692) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
PubChem CID17086692
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1cccc(NC(=O)COc2ccc(CC)cc2Br)c1
InChIInChI=1S/C19H20BrNO3/c1-3-10-23-16-7-5-6-15(12-16)21-19(22)13-24-18-9-8-14(4-2)11-17(18)20/h3,5-9,11-12H,1,4,10,13H2,2H3,(H,21,22)
InChIKeyREDKJAPQWDVERD-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)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-(2-bromo-4-tert-butylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086768
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
methyl 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201785
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189191
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
2-(2,4-dibromophenoxy)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 19628723
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
2-(2-bromo-4-ethylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130889
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221948
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17170552

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide (CID 17086692) is 2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide is C=CCOc1cccc(NC(=O)COc2ccc(CC)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide?
The InChIKey is REDKJAPQWDVERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-3-10-23-16-7-5-6-15(12-16)21-19(22)13-24-18-9-8-14(4-2)11-17(18)20/h3,5-9,11-12H,1,4,10,13H2,2H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide?
2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide has a molecular weight of 390.28 g/mol, XLogP of 4.59, 8 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-(3-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 17086692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).