N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide

C14H16Cl3NO3 — CID 62367000

IUPACN-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CCCCC1O
InChIInChI=1S/C14H16Cl3NO3/c15-8-5-10(17)13(6-9(8)16)21-7-14(20)18-11-3-1-2-4-12(11)19/h5-6,11-12,19H,1-4,7H2,(H,18,20)
InChIKeyLXIWSMFHHFOERB-UHFFFAOYSA-N
MW352.65 g/mol
LogP3.45
Rot. Bonds4

About N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide

N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 62367000) has the molecular formula C14H16Cl3NO3 and a molecular weight of 352.65 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID62367000
Molecular FormulaC14H16Cl3NO3
Molecular Weight352.65 g/mol
Exact Mass351.02
IUPAC NameN-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CCCCC1O
InChIInChI=1S/C14H16Cl3NO3/c15-8-5-10(17)13(6-9(8)16)21-7-14(20)18-11-3-1-2-4-12(11)19/h5-6,11-12,19H,1-4,7H2,(H,18,20)
InChIKeyLXIWSMFHHFOERB-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.65
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956953
2-(2,5-dichlorophenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956681
2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 171914731
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120577990
N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
CID 119453282
[(1R,2S)-2-hydroxycyclohexyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 1019497
2-(2-fluorophenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62360872
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
N-[(3R)-2-oxooxolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2525176
2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956604
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570406

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide (CID 62367000) is N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)c(Cl)cc1Cl)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is LXIWSMFHHFOERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl3NO3/c15-8-5-10(17)13(6-9(8)16)21-7-14(20)18-11-3-1-2-4-12(11)19/h5-6,11-12,19H,1-4,7H2,(H,18,20).
What are the key properties of N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide?
N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 352.65 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 62367000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).