HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

N-allyl-2-(4-bromo-2-methylphenoxy)acetamide

HCID 178779441
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
434302-72-4
Standard SMILES
C=CCNC(=O)COc1ccc(Br)cc1C
InChIKey
NRNXIVLWOPFACB-UHFFFAOYSA-N
Molecular formula
C12H14BrNO2
Average molar mass
284.15 g/mol

Names & identifiers

Preferred name
N-allyl-2-(4-bromo-2-methylphenoxy)acetamide
IUPAC
2-(4-bromo-2-methylphenoxy)-N-prop-2-enylacetamide
English name
N-allyl-2-(4-bromo-2-methylphenoxy)acetamide
Molecular formula
C12H14BrNO2
Molecular weight
284.15

Names & synonyms

N-allyl-2-(4-bromo-2-methylphenoxy)acetamide2-(4-bromo-2-methylphenoxy)-N-prop-2-enylacetamide434302-72-4Cambridge id 7002398SCHEMBL14825111STK202017AKOS000498950ST45046411AN-329/42215376SR-01000248553SR-01000248553-12-(4-bromo-2-methylphenoxy)-N-(prop-2-en-1-yl)acetamide
Show more names
Acetamide, 2-(4-bromo-2-methylphenoxy)-N-2-propen-1-yl-

Database identifiers

CAS
434302-72-4

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
245

Physicochemical properties

Boiling point
435.7 · 435.7±45.0 °C(Predicted)
Density
1.334 · 1.334±0.06 g/cm3(Predicted)
pka
14.24 · 14.24±0.46(Predicted)

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes