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

C14H17Cl2NO3 — CID 104956681

IUPAC2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H17Cl2NO3/c15-9-5-6-10(16)13(7-9)20-8-14(19)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4,8H2,(H,17,19)/t11-,12-/m0/s1
InChIKeyLQZCFOZYNQZBIO-RYUDHWBXSA-N
MW318.20 g/mol
LogP2.79
Rot. Bonds4

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

2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (PubChem CID 104956681) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
PubChem CID104956681
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H17Cl2NO3/c15-9-5-6-10(16)13(7-9)20-8-14(19)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4,8H2,(H,17,19)/t11-,12-/m0/s1
InChIKeyLQZCFOZYNQZBIO-RYUDHWBXSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956953
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 62367000
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dichlorophenoxy)acetamide;hydrochloride
CID 119600602
2-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120577794
2-(2-fluorophenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62360872
2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 171914731
2-(2,5-dichlorophenoxy)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 25493489
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 52504513
2-(2,4-dichlorophenoxy)-N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]acetamide
CID 133134780
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570406
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (CID 104956681) is 2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is O=C(COc1cc(Cl)ccc1Cl)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The InChIKey is LQZCFOZYNQZBIO-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c15-9-5-6-10(16)13(7-9)20-8-14(19)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4,8H2,(H,17,19)/t11-,12-/m0/s1.
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide has a molecular weight of 318.20 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 104956681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).