2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide

C12H15BrClNO2 — CID 885680

IUPAC2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2/c1-3-15(4-2)12(16)8-17-11-6-5-9(13)7-10(11)14/h5-7H,3-4,8H2,1-2H3
InChIKeyJKGBTMCMHUKICH-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide

2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide (PubChem CID 885680) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide
PubChem CID885680
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2/c1-3-15(4-2)12(16)8-17-11-6-5-9(13)7-10(11)14/h5-7H,3-4,8H2,1-2H3
InChIKeyJKGBTMCMHUKICH-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

2-(4-bromo-2-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 1226778
N-benzyl-2-(4-bromo-2-chlorophenoxy)-N-methylacetamide
CID 1312634
4-[2-(2-Chlorophenoxy)propanoyl]morpholine
CID 3620543
2-(4-Bromo-2-chlorophenoxy)-1-(pyrrolidin-1-yl)ethanone
CID 885808
2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide
CID 885937
4-[(2-Bromo-4-chlorophenoxy)acetyl]-1-piperazinecarbaldehyde
CID 1048021
N-allyl-N-[3-(4-bromo-2-chlorophenoxy)propyl]-2-propen-1-amine
CID 2195412
2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide
CID 2230655
2-(4-bromo-2-chlorophenoxy)-N-prop-2-enylacetamide
CID 2234817
4-[2-[2-(4-Bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine
CID 2297135
2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide
CID 2906779
4-[2-(4-Bromo-2-chlorophenoxy)ethyl]morpholine oxalate
CID 2923989

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide (CID 885680) is 2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide?
The InChIKey is JKGBTMCMHUKICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-3-15(4-2)12(16)8-17-11-6-5-9(13)7-10(11)14/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide?
2-(4-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-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 885680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).