2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide

C13H16FNO4 — CID 129397646

IUPAC2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NC[C@]1(O)CCOC1
InChIInChI=1S/C13H16FNO4/c14-10-1-3-11(4-2-10)19-7-12(16)15-8-13(17)5-6-18-9-13/h1-4,17H,5-9H2,(H,15,16)/t13-/m1/s1
InChIKeyPWAORNBXPBPFMO-CYBMUJFWSA-N
MW269.27 g/mol
LogP0.47
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide

2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide (PubChem CID 129397646) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
PubChem CID129397646
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NC[C@]1(O)CCOC1
InChIInChI=1S/C13H16FNO4/c14-10-1-3-11(4-2-10)19-7-12(16)15-8-13(17)5-6-18-9-13/h1-4,17H,5-9H2,(H,15,16)/t13-/m1/s1
InChIKeyPWAORNBXPBPFMO-CYBMUJFWSA-N
XLogP0.47
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 129397645
2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 91914822
2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide
CID 106102823
2-(4-fluorophenoxy)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]acetamide
CID 90581093
N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 56765194
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100759
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039118
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129358023
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113337991
N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 71686917

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide (CID 129397646) is 2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide is O=C(COc1ccc(F)cc1)NC[C@]1(O)CCOC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The InChIKey is PWAORNBXPBPFMO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16FNO4/c14-10-1-3-11(4-2-10)19-7-12(16)15-8-13(17)5-6-18-9-13/h1-4,17H,5-9H2,(H,15,16)/t13-/m1/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide has a molecular weight of 269.27 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 129397646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).