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

C14H19Cl2NO3 — CID 103771579

IUPAC2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-9(2)5-11(18)7-17-14(19)8-20-13-6-10(15)3-4-12(13)16/h3-4,6,9,11,18H,5,7-8H2,1-2H3,(H,17,19)
InChIKeyHAJFHAVNJUJLTC-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.90
Rot. Bonds7

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

2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide (PubChem CID 103771579) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
PubChem CID103771579
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)CC(O)CNC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-9(2)5-11(18)7-17-14(19)8-20-13-6-10(15)3-4-12(13)16/h3-4,6,9,11,18H,5,7-8H2,1-2H3,(H,17,19)
InChIKeyHAJFHAVNJUJLTC-UHFFFAOYSA-N
XLogP2.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771426
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66109028
2-(2,5-dichlorophenoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 24666851
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 119585484
2-(2,5-dichlorophenyl)sulfanyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771516
N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822650
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 107150626

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide (CID 103771579) is 2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide is CC(C)CC(O)CNC(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The InChIKey is HAJFHAVNJUJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-9(2)5-11(18)7-17-14(19)8-20-13-6-10(15)3-4-12(13)16/h3-4,6,9,11,18H,5,7-8H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide has a molecular weight of 320.22 g/mol, XLogP of 2.90, 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-(2-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103771579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).