2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide

C13H16BrNO4 — CID 43622439

IUPAC2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1c(Br)cc(C=O)cc1OC
InChIInChI=1S/C13H16BrNO4/c1-3-4-15-12(17)8-19-13-10(14)5-9(7-16)6-11(13)18-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyISDAJCQNXYFUPY-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.18
Rot. Bonds7

About 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide

2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide (PubChem CID 43622439) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide
PubChem CID43622439
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1c(Br)cc(C=O)cc1OC
InChIInChI=1S/C13H16BrNO4/c1-3-4-15-12(17)8-19-13-10(14)5-9(7-16)6-11(13)18-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyISDAJCQNXYFUPY-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-formylphenoxy)-N-propylacetamide
CID 55025685
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 19578086
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 21211286
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 43622360
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 1008844
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide
CID 113438774
N-(cyanomethyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 43516619
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 43589731
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
CID 43622324
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 28897847
N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide
CID 3635185
3-bromo-4-(2-hydroxybutoxy)-5-methoxybenzaldehyde
CID 60886226

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide?
The IUPAC name of 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide (CID 43622439) is 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide?
The canonical SMILES for 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide is CCCNC(=O)COc1c(Br)cc(C=O)cc1OC.
What is the InChIKey of 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide?
The InChIKey is ISDAJCQNXYFUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-3-4-15-12(17)8-19-13-10(14)5-9(7-16)6-11(13)18-2/h5-7H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide?
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide has a molecular weight of 330.18 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide is sourced from PubChem (CID 43622439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).