3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide

C11H13Cl2NO2 — CID 82090673

IUPAC3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
SMILESCC(C)(COc1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,10(14)15)6-16-9-4-3-7(12)5-8(9)13/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyZSYGFMPCWRJEHU-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.88
Rot. Bonds4

About 3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide

3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide (PubChem CID 82090673) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
PubChem CID82090673
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
SMILESCC(C)(COc1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,10(14)15)6-16-9-4-3-7(12)5-8(9)13/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyZSYGFMPCWRJEHU-UHFFFAOYSA-N
XLogP2.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
1-(2,4-dichlorophenoxy)-2-phenylpropan-2-ol
CID 62373347
4-(2,4-dichlorophenoxy)-2,2-dimethylbutanethioamide
CID 65249358
methyl 3-(2-chloro-4-methylphenoxy)-2,2-dimethylpropanoate
CID 79622455
2-(2,4-dichlorophenoxy)acetamide;pyrimidine
CID 161375836
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanenitrile
CID 82085345
2-(2,4-dichlorophenoxy)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6135498
(3,3-dimethylbut-1-en-2-ylamino) 2-(2,4-dichlorophenoxy)acetate
CID 2195214
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide?
The IUPAC name of 3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide (CID 82090673) is 3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide is CC(C)(COc1ccc(Cl)cc1Cl)C(N)=O.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide?
The InChIKey is ZSYGFMPCWRJEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-11(2,10(14)15)6-16-9-4-3-7(12)5-8(9)13/h3-5H,6H2,1-2H3,(H2,14,15).
What are the key properties of 3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide?
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide has a molecular weight of 262.14 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide is sourced from PubChem (CID 82090673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).