2-(4-bromophenoxy)-N-butan-2-ylacetamide

C12H16BrNO2 — CID 2936151

IUPAC2-(4-bromophenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-3-9(2)14-12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyIAHXBNIERZQASE-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.74
Rot. Bonds5

About 2-(4-bromophenoxy)-N-butan-2-ylacetamide

2-(4-bromophenoxy)-N-butan-2-ylacetamide (PubChem CID 2936151) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-butan-2-ylacetamide
PubChem CID2936151
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(4-bromophenoxy)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-3-9(2)14-12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyIAHXBNIERZQASE-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-[2-(1-pyrrolidinyl)ethyl]acetamide
CID 23723164
N-cyclohexyl-2-phenoxyacetamide
CID 832666
2-(4-Bromophenoxy)-1-morpholin-4-ylethanone
CID 674921
2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide
CID 803345
2-(Morpholin-4-yl)-2-oxoethyl (4-bromophenoxy)acetate
CID 1505704
[2-(Cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2376778
2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide
CID 2523046
1-[2-(4-Bromophenoxy)acetyl]imidazolidin-2-one
CID 5299798
2-(4-Bromophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 6467438
(S)-2-(4-bromophenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamide
CID 44581696
N-cyclopropyl-2-(4-fluorophenoxy)acetamide
CID 653897
2-(2-bromophenoxy)-N-cyclopentylacetamide
CID 729424

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-butan-2-ylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-butan-2-ylacetamide (CID 2936151) is 2-(4-bromophenoxy)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-butan-2-ylacetamide?
The InChIKey is IAHXBNIERZQASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-9(2)14-12(15)8-16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-bromophenoxy)-N-butan-2-ylacetamide?
2-(4-bromophenoxy)-N-butan-2-ylacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-butan-2-ylacetamide is sourced from PubChem (CID 2936151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).