2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide

C15H20ClNO3 — CID 104956953

IUPAC2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H20ClNO3/c1-10-6-7-11(16)14(8-10)20-9-15(19)17-12-4-2-3-5-13(12)18/h6-8,12-13,18H,2-5,9H2,1H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyQLJXQSXGBNPXBJ-STQMWFEESA-N
MW297.78 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide

2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (PubChem CID 104956953) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
PubChem CID104956953
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESCc1ccc(Cl)c(OCC(=O)N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H20ClNO3/c1-10-6-7-11(16)14(8-10)20-9-15(19)17-12-4-2-3-5-13(12)18/h6-8,12-13,18H,2-5,9H2,1H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyQLJXQSXGBNPXBJ-STQMWFEESA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956681
N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 62367000
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570406
2-(2-chloro-5-methylphenoxy)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46786987
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 171914731
3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66032110
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 25436323
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
CID 119611347
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (CID 104956953) is 2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is Cc1ccc(Cl)c(OCC(=O)N[C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The InChIKey is QLJXQSXGBNPXBJ-STQMWFEESA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10-6-7-11(16)14(8-10)20-9-15(19)17-12-4-2-3-5-13(12)18/h6-8,12-13,18H,2-5,9H2,1H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide has a molecular weight of 297.78 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 104956953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).