2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

C16H23Cl2NO2 — CID 102915108

IUPAC2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)COc1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C16H23Cl2NO2/c1-10(2)13(11(3)4)8-19-16(20)9-21-15-6-5-12(17)7-14(15)18/h5-7,10-11,13H,8-9H2,1-4H3,(H,19,20)
InChIKeyAKQCYUPADIHKHU-UHFFFAOYSA-N
MW332.27 g/mol
LogP4.42
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide

2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (PubChem CID 102915108) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
PubChem CID102915108
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
SMILESCC(C)C(CNC(=O)COc1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C16H23Cl2NO2/c1-10(2)13(11(3)4)8-19-16(20)9-21-15-6-5-12(17)7-14(15)18/h5-7,10-11,13H,8-9H2,1-4H3,(H,19,20)
InChIKeyAKQCYUPADIHKHU-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914944
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726307
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 51256307
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
2-(2,4-dimethylphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914299
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide (CID 102915108) is 2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is CC(C)C(CNC(=O)COc1ccc(Cl)cc1Cl)C(C)C.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
The InChIKey is AKQCYUPADIHKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-10(2)13(11(3)4)8-19-16(20)9-21-15-6-5-12(17)7-14(15)18/h5-7,10-11,13H,8-9H2,1-4H3,(H,19,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide has a molecular weight of 332.27 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide is sourced from PubChem (CID 102915108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).