2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide

C13H17BrClNO2 — CID 60773244

IUPAC2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cc(Br)ccc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-3-4-9(2)16-13(17)8-18-12-7-10(14)5-6-11(12)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyGXQWPDGKLQLBOR-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.79
Rot. Bonds6

About 2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide

2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide (PubChem CID 60773244) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide
PubChem CID60773244
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cc(Br)ccc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-3-4-9(2)16-13(17)8-18-12-7-10(14)5-6-11(12)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyGXQWPDGKLQLBOR-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
CID 115919130
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 107564359
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 7999915
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide
CID 102946716
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519
2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 112828409
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950546
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950545
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-butan-2-ylacetamide
CID 43083056
2-(2-carbamothioyl-5-chlorophenoxy)-N-pentan-2-ylacetamide
CID 114323209

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide (CID 60773244) is 2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1cc(Br)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide?
The InChIKey is GXQWPDGKLQLBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-3-4-9(2)16-13(17)8-18-12-7-10(14)5-6-11(12)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide?
2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide has a molecular weight of 334.64 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide is sourced from PubChem (CID 60773244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).