2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide

C13H17Cl2NO2 — CID 115734976

IUPAC2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(CO)C(C)NC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-8(7-17)9(2)16-13(18)5-10-3-4-11(14)6-12(10)15/h3-4,6,8-9,17H,5,7H2,1-2H3,(H,16,18)
InChIKeyHMDXXBFRMLIJNL-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.67
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide

2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 115734976) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID115734976
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(CO)C(C)NC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-8(7-17)9(2)16-13(18)5-10-3-4-11(14)6-12(10)15/h3-4,6,8-9,17H,5,7H2,1-2H3,(H,16,18)
InChIKeyHMDXXBFRMLIJNL-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
CID 43405682
2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750934
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7763020
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452596
2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide
CID 97245023
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 7929641
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
CID 93082944
(2S)-4-amino-2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-oxobutanoic acid
CID 61142148
2-[[2-(2,4-dichlorophenyl)acetyl]amino]-4-sulfanylbutanoic acid
CID 114212535

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide (CID 115734976) is 2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide is CC(CO)C(C)NC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is HMDXXBFRMLIJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-8(7-17)9(2)16-13(18)5-10-3-4-11(14)6-12(10)15/h3-4,6,8-9,17H,5,7H2,1-2H3,(H,16,18).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide?
2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 290.19 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 115734976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).