2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide

C12H14BrClN2O3 — CID 56819453

IUPAC2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide
SMILESCC(C)(NC(=O)COc1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C12H14BrClN2O3/c1-12(2,11(15)18)16-10(17)6-19-9-4-3-7(14)5-8(9)13/h3-5H,6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyGRHHOSLQBLVJJU-UHFFFAOYSA-N
MW349.61 g/mol
LogP1.86
Rot. Bonds5

About 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide (PubChem CID 56819453) has the molecular formula C12H14BrClN2O3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide
PubChem CID56819453
Molecular FormulaC12H14BrClN2O3
Molecular Weight349.61 g/mol
Exact Mass347.99
IUPAC Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide
SMILESCC(C)(NC(=O)COc1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C12H14BrClN2O3/c1-12(2,11(15)18)16-10(17)6-19-9-4-3-7(14)5-8(9)13/h3-5H,6H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyGRHHOSLQBLVJJU-UHFFFAOYSA-N
XLogP1.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114245
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668138
methyl (2S)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277756
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
(2R)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 79011222
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide (CID 56819453) is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide is CC(C)(NC(=O)COc1ccc(Cl)cc1Br)C(N)=O.
What is the InChIKey of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide?
The InChIKey is GRHHOSLQBLVJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O3/c1-12(2,11(15)18)16-10(17)6-19-9-4-3-7(14)5-8(9)13/h3-5H,6H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide?
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide has a molecular weight of 349.61 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide is sourced from PubChem (CID 56819453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).