3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide

C16H22FNO3 — CID 102634743

IUPAC3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
SMILESCN(C(=O)CCOc1cccc(F)c1)C1CCCCC1O
InChIInChI=1S/C16H22FNO3/c1-18(14-7-2-3-8-15(14)19)16(20)9-10-21-13-6-4-5-12(17)11-13/h4-6,11,14-15,19H,2-3,7-10H2,1H3
InChIKeyGFBOQYPTVHQQME-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.36
Rot. Bonds5

About 3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide

3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide (PubChem CID 102634743) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
PubChem CID102634743
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
SMILESCN(C(=O)CCOc1cccc(F)c1)C1CCCCC1O
InChIInChI=1S/C16H22FNO3/c1-18(14-7-2-3-8-15(14)19)16(20)9-10-21-13-6-4-5-12(17)11-13/h4-6,11,14-15,19H,2-3,7-10H2,1H3
InChIKeyGFBOQYPTVHQQME-UHFFFAOYSA-N
XLogP2.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102635543
N-cyclobutyl-3-(3-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 102866340
4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553657
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
2-(3,5-difluorophenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 91767128
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
2-(cyclopropylamino)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 54872660
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635668
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100664449
2-(1-aminocyclopentyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 64679568

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The IUPAC name of 3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide (CID 102634743) is 3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide is CN(C(=O)CCOc1cccc(F)c1)C1CCCCC1O.
What is the InChIKey of 3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
The InChIKey is GFBOQYPTVHQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-18(14-7-2-3-8-15(14)19)16(20)9-10-21-13-6-4-5-12(17)11-13/h4-6,11,14-15,19H,2-3,7-10H2,1H3.
What are the key properties of 3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide?
3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide has a molecular weight of 295.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 102634743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).