2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide

C13H16BrNO4 — CID 61390814

IUPAC2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1c(Br)cccc1C=O
InChIInChI=1S/C13H16BrNO4/c1-9(13(17)15-6-7-18-2)19-12-10(8-16)4-3-5-11(12)14/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)
InChIKeyWIPPFQNDRIRNDF-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.79
Rot. Bonds7

About 2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide

2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 61390814) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID61390814
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1c(Br)cccc1C=O
InChIInChI=1S/C13H16BrNO4/c1-9(13(17)15-6-7-18-2)19-12-10(8-16)4-3-5-11(12)14/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)
InChIKeyWIPPFQNDRIRNDF-UHFFFAOYSA-N
XLogP1.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.79
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'}

Analyze 2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide 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-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 115955495
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 8955586
3-(2-bromo-6-formylphenoxy)butanamide
CID 123241390
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
CID 115955752
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide
CID 61391421
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide
CID 107739572
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
3-bromo-2-but-3-en-2-yloxybenzaldehyde
CID 62384153
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide (CID 61390814) is 2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1c(Br)cccc1C=O.
What is the InChIKey of 2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is WIPPFQNDRIRNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-9(13(17)15-6-7-18-2)19-12-10(8-16)4-3-5-11(12)14/h3-5,8-9H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide?
2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 330.18 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 61390814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).