2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide

C12H14BrNO4 — CID 81494620

IUPAC2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(Br)c(C=O)c1
InChIInChI=1S/C12H14BrNO4/c1-17-5-4-14-12(16)8-18-10-2-3-11(13)9(6-10)7-15/h2-3,6-7H,4-5,8H2,1H3,(H,14,16)
InChIKeyAMUXDPNKGVDCNH-UHFFFAOYSA-N
MW316.15 g/mol
LogP1.40
Rot. Bonds7

About 2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide

2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 81494620) has the molecular formula C12H14BrNO4 and a molecular weight of 316.15 g/mol. Its IUPAC name is 2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID81494620
Molecular FormulaC12H14BrNO4
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(Br)c(C=O)c1
InChIInChI=1S/C12H14BrNO4/c1-17-5-4-14-12(16)8-18-10-2-3-11(13)9(6-10)7-15/h2-3,6-7H,4-5,8H2,1H3,(H,14,16)
InChIKeyAMUXDPNKGVDCNH-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(4-hydroxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 61485470
2-(4-bromo-3-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 81494354
2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81421514
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
N-(2-methoxyethyl)-2-quinolin-6-yloxyacetamide
CID 47453984
2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27874519
N-(2-methoxyethyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
CID 24517119
2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide
CID 54956323
4-(4-bromo-3-formylphenoxy)butanoic acid
CID 19921916
2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82057058
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78932114
2-amino-5-[2-(3-methoxypropylamino)-2-oxoethoxy]benzoic acid
CID 107077027

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide (CID 81494620) is 2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(Br)c(C=O)c1.
What is the InChIKey of 2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is AMUXDPNKGVDCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO4/c1-17-5-4-14-12(16)8-18-10-2-3-11(13)9(6-10)7-15/h2-3,6-7H,4-5,8H2,1H3,(H,14,16).
What are the key properties of 2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide?
2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 316.15 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-formylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 81494620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).