2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide

C13H17Cl2NO4 — CID 103877357

IUPAC2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO4/c1-19-7-10(17)4-5-16-13(18)8-20-12-3-2-9(14)6-11(12)15/h2-3,6,10,17H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyXVBOXFUTEXUPSV-UHFFFAOYSA-N
MW322.19 g/mol
LogP1.89
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide

2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide (PubChem CID 103877357) has the molecular formula C13H17Cl2NO4 and a molecular weight of 322.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide
PubChem CID103877357
Molecular FormulaC13H17Cl2NO4
Molecular Weight322.19 g/mol
Exact Mass321.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO4/c1-19-7-10(17)4-5-16-13(18)8-20-12-3-2-9(14)6-11(12)15/h2-3,6,10,17H,4-5,7-8H2,1H3,(H,16,18)
InChIKeyXVBOXFUTEXUPSV-UHFFFAOYSA-N
XLogP1.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 103876701
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methoxypropyl)acetamide
CID 112991216
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113053174
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78931610

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide (CID 103877357) is 2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide is COCC(O)CCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The InChIKey is XVBOXFUTEXUPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO4/c1-19-7-10(17)4-5-16-13(18)8-20-12-3-2-9(14)6-11(12)15/h2-3,6,10,17H,4-5,7-8H2,1H3,(H,16,18).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide has a molecular weight of 322.19 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide is sourced from PubChem (CID 103877357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).