2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide

C12H16BrNO2 — CID 729418

IUPAC2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-9(2)7-14-12(15)8-16-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyJLEVICYZXCDCQO-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.60
Rot. Bonds5

About 2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide

2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 729418) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide
PubChem CID729418
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-9(2)7-14-12(15)8-16-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyJLEVICYZXCDCQO-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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
2-(4-Bromophenoxy)-1-morpholin-4-ylethanone
CID 674921
[2-(Cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2376778
2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide
CID 2523046
2-(4-Bromophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 6467438
1-[2-(2-Bromophenoxy)acetyl]imidazolidin-2-one
CID 9466285
2-(2-bromophenoxy)-N-cyclopentylacetamide
CID 729424
1-(4-Acetylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone
CID 2403087
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide
CID 2632577
N-cyclopentyl-2-(2,4-dibromophenoxy)acetamide
CID 2632827
2-[2-(4-Bromophenoxy)acetylamino]propanoic acid
CID 2787613
N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2889484

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide (CID 729418) is 2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is JLEVICYZXCDCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(2)7-14-12(15)8-16-11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide?
2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 286.17 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 729418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).