2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide

C12H13BrClNO2 — CID 115636543

IUPAC2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
SMILESC=C(Cl)CNC(=O)COc1ccc(C)cc1Br
InChIInChI=1S/C12H13BrClNO2/c1-8-3-4-11(10(13)5-8)17-7-12(16)15-6-9(2)14/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyYXKOPTGOQPWSSG-UHFFFAOYSA-N
MW318.60 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide (PubChem CID 115636543) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
PubChem CID115636543
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
SMILESC=C(Cl)CNC(=O)COc1ccc(C)cc1Br
InChIInChI=1S/C12H13BrClNO2/c1-8-3-4-11(10(13)5-8)17-7-12(16)15-6-9(2)14/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyYXKOPTGOQPWSSG-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]ethyl-dimethylazanium
CID 2184742
N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
CID 115636840
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide
CID 4280299
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-hydroxyphenyl)ethenyl]acetohydrazide
CID 4280300
2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 744767
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123697
2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9372061
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide (CID 115636543) is 2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide is C=C(Cl)CNC(=O)COc1ccc(C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide?
The InChIKey is YXKOPTGOQPWSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c1-8-3-4-11(10(13)5-8)17-7-12(16)15-6-9(2)14/h3-5H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide has a molecular weight of 318.60 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide is sourced from PubChem (CID 115636543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).