2-(3,5-dichlorophenoxy)-N,N-diethylacetamide

C12H15Cl2NO2 — CID 84603845

IUPAC2-(3,5-dichlorophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-3-15(4-2)12(16)8-17-11-6-9(13)5-10(14)7-11/h5-7H,3-4,8H2,1-2H3
InChIKeyPCKKDOPZZXGZIG-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.24
Rot. Bonds5

About 2-(3,5-dichlorophenoxy)-N,N-diethylacetamide

2-(3,5-dichlorophenoxy)-N,N-diethylacetamide (PubChem CID 84603845) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N,N-diethylacetamide
PubChem CID84603845
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2-(3,5-dichlorophenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-3-15(4-2)12(16)8-17-11-6-9(13)5-10(14)7-11/h5-7H,3-4,8H2,1-2H3
InChIKeyPCKKDOPZZXGZIG-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-(3,5-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119582731
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide
CID 78970690
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
1-chloro-3-(3,5-dichlorophenoxy)propan-2-one
CID 39356766
2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide
CID 43141794
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693
1,3-dichloro-5-(ethoxymethoxy)benzene
CID 175806950

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N,N-diethylacetamide (CID 84603845) is 2-(3,5-dichlorophenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N,N-diethylacetamide?
The InChIKey is PCKKDOPZZXGZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-3-15(4-2)12(16)8-17-11-6-9(13)5-10(14)7-11/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2-(3,5-dichlorophenoxy)-N,N-diethylacetamide?
2-(3,5-dichlorophenoxy)-N,N-diethylacetamide has a molecular weight of 276.16 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 84603845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).