2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide

C11H14ClNO3 — CID 39086751

IUPAC2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-8(6-14)13-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyOQGBGQHYHOUYOC-MRVPVSSYSA-N
MW243.69 g/mol
LogP1.22
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide

2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide (PubChem CID 39086751) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
PubChem CID39086751
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
SMILESC[C@H](CO)NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-8(6-14)13-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyOQGBGQHYHOUYOC-MRVPVSSYSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 79031134
2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 74554708
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 123862391
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157390
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-oxobutan-2-yl]acetamide
CID 88598926
2-(4-chlorophenoxy)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 2330945
N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 81042144
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
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-[(2R)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide (CID 39086751) is 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide is C[C@H](CO)NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is OQGBGQHYHOUYOC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-8(6-14)13-11(15)7-16-10-4-2-9(12)3-5-10/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 243.69 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 39086751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).