2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide

C13H17Cl2NO3 — CID 64555809

IUPAC2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCCC(C)(CO)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-3-13(2,8-17)16-12(18)7-19-11-5-4-9(14)6-10(11)15/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyYVRDCBROEYWICF-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.65
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide (PubChem CID 64555809) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
PubChem CID64555809
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCCC(C)(CO)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-3-13(2,8-17)16-12(18)7-19-11-5-4-9(14)6-10(11)15/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyYVRDCBROEYWICF-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64557969
N-(tert-butylcarbamoyl)-2-(2,4-dichlorophenoxy)acetamide
CID 2640450
2-(2-chloro-4-fluorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103602624
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
2-(2,4-dichlorophenoxy)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6135498
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide (CID 64555809) is 2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide is CCC(C)(CO)NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
The InChIKey is YVRDCBROEYWICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-3-13(2,8-17)16-12(18)7-19-11-5-4-9(14)6-10(11)15/h4-6,17H,3,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide has a molecular weight of 306.19 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 64555809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).