N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide

C16H22FNO3 — CID 107698395

IUPACN-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1ccc(F)cc1CO)C(=O)NC1CCCCC1
InChIInChI=1S/C16H22FNO3/c1-11(16(20)18-14-5-3-2-4-6-14)21-15-8-7-13(17)9-12(15)10-19/h7-9,11,14,19H,2-6,10H2,1H3,(H,18,20)
InChIKeyDPVHKGVHJBYRAC-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.53
Rot. Bonds5

About N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide

N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide (PubChem CID 107698395) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
PubChem CID107698395
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC NameN-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1ccc(F)cc1CO)C(=O)NC1CCCCC1
InChIInChI=1S/C16H22FNO3/c1-11(16(20)18-14-5-3-2-4-6-14)21-15-8-7-13(17)9-12(15)10-19/h7-9,11,14,19H,2-6,10H2,1H3,(H,18,20)
InChIKeyDPVHKGVHJBYRAC-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-fluorophenoxy]-N-cyclopentylpropanamide
CID 107694934
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide
CID 107701322
N-cyclopentyl-2-[2-(2-hydroxyethyl)phenoxy]propanamide
CID 107713127
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689513

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide (CID 107698395) is N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide is CC(Oc1ccc(F)cc1CO)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is DPVHKGVHJBYRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-11(16(20)18-14-5-3-2-4-6-14)21-15-8-7-13(17)9-12(15)10-19/h7-9,11,14,19H,2-6,10H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide?
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 295.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 107698395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).