2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide

C12H15BrClNO2 — CID 60773290

IUPAC2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClNO2/c1-3-15(4-2)12(16)8-17-11-7-9(13)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3
InChIKeyOKXDJAPEFBUGJF-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.35
Rot. Bonds5

About 2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide

2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide (PubChem CID 60773290) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide
PubChem CID60773290
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cc(Br)ccc1Cl
InChIInChI=1S/C12H15BrClNO2/c1-3-15(4-2)12(16)8-17-11-7-9(13)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3
InChIKeyOKXDJAPEFBUGJF-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenoxy)-3-methoxypropan-2-one
CID 107508163
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61021135
4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene
CID 66043796
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
CID 112779036
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
2-(5-bromo-2-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 112828375
3-[[2-(2-chloro-5-methylphenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62826476
2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide
CID 60773244
2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 112828409
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]acetic acid
CID 54900985
4-bromo-1-chloro-2-[(Z)-3-chloro-2-methylprop-2-enoxy]benzene
CID 106438538
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide (CID 60773290) is 2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1cc(Br)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide?
The InChIKey is OKXDJAPEFBUGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-3-15(4-2)12(16)8-17-11-7-9(13)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide?
2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide has a molecular weight of 320.61 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 60773290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).