2-(3-bromophenoxy)-N,N-diethylacetamide

C12H16BrNO2 — CID 24689388

IUPAC2-(3-bromophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-3-14(4-2)12(15)9-16-11-7-5-6-10(13)8-11/h5-8H,3-4,9H2,1-2H3
InChIKeySADLUGPJXZHYSZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.70
Rot. Bonds5

About 2-(3-bromophenoxy)-N,N-diethylacetamide

2-(3-bromophenoxy)-N,N-diethylacetamide (PubChem CID 24689388) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N,N-diethylacetamide
PubChem CID24689388
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(3-bromophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-3-14(4-2)12(15)9-16-11-7-5-6-10(13)8-11/h5-8H,3-4,9H2,1-2H3
InChIKeySADLUGPJXZHYSZ-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenoxy)-N,N-dipropylacetamide
CID 112977337
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60694299
3-[[2-(3-bromophenoxy)acetyl]-ethylamino]butanoic acid
CID 62821216
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
CID 61488607
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
3-[[2-(3-bromophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119189919
2-[[2-(3-bromophenoxy)acetyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46603928
2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
CID 71326234
ethyl 2-[3-(3-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012247
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841
1-bromo-3-ethoxybenzene;ethane
CID 143900364

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(3-bromophenoxy)-N,N-diethylacetamide (CID 24689388) is 2-(3-bromophenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N,N-diethylacetamide?
The InChIKey is SADLUGPJXZHYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-14(4-2)12(15)9-16-11-7-5-6-10(13)8-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-(3-bromophenoxy)-N,N-diethylacetamide?
2-(3-bromophenoxy)-N,N-diethylacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 24689388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).