2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

C13H18ClNO3 — CID 74554708

IUPAC2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-9(2)12(7-16)15-13(17)8-18-11-5-3-10(14)4-6-11/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyCFSOFGYPTVYFPZ-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.85
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 74554708) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID74554708
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3/c1-9(2)12(7-16)15-13(17)8-18-11-5-3-10(14)4-6-11/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyCFSOFGYPTVYFPZ-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086751
(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157390
2-(4-chlorophenoxy)-N-(3-methyl-1-phenylbutan-2-yl)acetamide
CID 53338213
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide
CID 95185642
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-oxobutan-2-yl]acetamide
CID 88598926
2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248730
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060
2-(2,6-dimethylphenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79247450
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-(3-chloro-4-fluorophenoxy)-N-(1-hydroxy-3-phenylbutan-2-yl)acetamide
CID 146087967
2-(4-chlorophenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217637

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 74554708) is 2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is CC(C)C(CO)NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is CFSOFGYPTVYFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-9(2)12(7-16)15-13(17)8-18-11-5-3-10(14)4-6-11/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 271.74 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 74554708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).