2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

C19H20BrNO5 — CID 27874519

IUPAC2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2ccc(Br)cc2C=O)cc1
InChIInChI=1S/C19H20BrNO5/c1-2-24-16-4-6-17(7-5-16)25-10-9-21-19(23)13-26-18-8-3-15(20)11-14(18)12-22/h3-8,11-12H,2,9-10,13H2,1H3,(H,21,23)
InChIKeyLTHMUYRYSJZEIU-UHFFFAOYSA-N
MW422.28 g/mol
LogP3.23
Rot. Bonds10

About 2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (PubChem CID 27874519) has the molecular formula C19H20BrNO5 and a molecular weight of 422.28 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
PubChem CID27874519
Molecular FormulaC19H20BrNO5
Molecular Weight422.28 g/mol
Exact Mass421.05
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2ccc(Br)cc2C=O)cc1
InChIInChI=1S/C19H20BrNO5/c1-2-24-16-4-6-17(7-5-16)25-10-9-21-19(23)13-26-18-8-3-15(20)11-14(18)12-22/h3-8,11-12H,2,9-10,13H2,1H3,(H,21,23)
InChIKeyLTHMUYRYSJZEIU-UHFFFAOYSA-N
XLogP3.23
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 34060908
2-(4-bromo-2-formylphenoxy)-N-prop-2-ynylacetamide
CID 9006975
ethyl 2-(4-bromo-2-formylphenoxy)acetate
CID 880259
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
CID 126961724
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide
CID 7819916
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 8587894
2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 34061017
2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81494620
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414
5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
CID 20988193
2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 35721007

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (CID 27874519) is 2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is CCOc1ccc(OCCNC(=O)COc2ccc(Br)cc2C=O)cc1.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The InChIKey is LTHMUYRYSJZEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO5/c1-2-24-16-4-6-17(7-5-16)25-10-9-21-19(23)13-26-18-8-3-15(20)11-14(18)12-22/h3-8,11-12H,2,9-10,13H2,1H3,(H,21,23).
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide has a molecular weight of 422.28 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 27874519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).