N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide

C16H22FNO3 — CID 90498778

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC(O)C1CCCCC1
InChIInChI=1S/C16H22FNO3/c17-13-6-8-14(9-7-13)21-11-16(20)18-10-15(19)12-4-2-1-3-5-12/h6-9,12,15,19H,1-5,10-11H2,(H,18,20)
InChIKeyVAPRBJNCJICSOQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.26
Rot. Bonds6

About N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide

N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide (PubChem CID 90498778) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
PubChem CID90498778
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC(O)C1CCCCC1
InChIInChI=1S/C16H22FNO3/c17-13-6-8-14(9-7-13)21-11-16(20)18-10-15(19)12-4-2-1-3-5-12/h6-9,12,15,19H,1-5,10-11H2,(H,18,20)
InChIKeyVAPRBJNCJICSOQ-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide
CID 90498772
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 90498777
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
CID 63294026
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(3-methoxyphenoxy)acetamide
CID 95983036
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71782115
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 111426344
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 95292204
N-cyclohexyl-5-(4-fluorophenoxy)-4-oxopentanamide
CID 159106921
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide (CID 90498778) is N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)NCC(O)C1CCCCC1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is VAPRBJNCJICSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c17-13-6-8-14(9-7-13)21-11-16(20)18-10-15(19)12-4-2-1-3-5-12/h6-9,12,15,19H,1-5,10-11H2,(H,18,20).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide?
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 295.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 90498778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).