2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide

C13H17Cl2NO3 — CID 66109028

IUPAC2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-9(4-5-17)7-16-13(18)8-19-12-6-10(14)2-3-11(12)15/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyRERVIQOSBWOJHU-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.51
Rot. Bonds7

About 2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide

2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide (PubChem CID 66109028) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide
PubChem CID66109028
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide
SMILESCC(CCO)CNC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-9(4-5-17)7-16-13(18)8-19-12-6-10(14)2-3-11(12)15/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyRERVIQOSBWOJHU-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031935
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82010449
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822223
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161893

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide (CID 66109028) is 2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide is CC(CCO)CNC(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide?
The InChIKey is RERVIQOSBWOJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-9(4-5-17)7-16-13(18)8-19-12-6-10(14)2-3-11(12)15/h2-3,6,9,17H,4-5,7-8H2,1H3,(H,16,18).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide?
2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide has a molecular weight of 306.19 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 66109028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).