2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide

C16H22FNO3 — CID 62522000

IUPAC2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C16H22FNO3/c1-12(21-14-7-5-6-13(17)10-14)15(20)18-16(11-19)8-3-2-4-9-16/h5-7,10,12,19H,2-4,8-9,11H2,1H3,(H,18,20)
InChIKeyLWUYTWFMVWENRH-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.40
Rot. Bonds5

About 2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide

2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide (PubChem CID 62522000) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide
PubChem CID62522000
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C16H22FNO3/c1-12(21-14-7-5-6-13(17)10-14)15(20)18-16(11-19)8-3-2-4-9-16/h5-7,10,12,19H,2-4,8-9,11H2,1H3,(H,18,20)
InChIKeyLWUYTWFMVWENRH-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
CID 62520197
2-[1-[2-(3-fluorophenoxy)propanoylamino]cyclobutyl]acetic acid
CID 79844671
1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158051
2-[2-(3-fluorophenoxy)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546441
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide
CID 62527498
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
2-(3-fluorophenoxy)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246472
(2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 99826146
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
(2S)-3-[2-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833758
(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 51729397

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide (CID 62522000) is 2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide is CC(Oc1cccc(F)c1)C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The InChIKey is LWUYTWFMVWENRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-12(21-14-7-5-6-13(17)10-14)15(20)18-16(11-19)8-3-2-4-9-16/h5-7,10,12,19H,2-4,8-9,11H2,1H3,(H,18,20).
What are the key properties of 2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide has a molecular weight of 295.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide is sourced from PubChem (CID 62522000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).