2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C14H16FNO3 — CID 91791644

IUPAC2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C14H16FNO3/c15-9-1-3-10(4-2-9)19-8-14(17)16-12-7-13-11(12)5-6-18-13/h1-4,11-13H,5-8H2,(H,16,17)/t11-,12+,13+/m1/s1
InChIKeyNPRVAJOREMIWHZ-AGIUHOORSA-N
MW265.28 g/mol
LogP1.50
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 91791644) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID91791644
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C14H16FNO3/c15-9-1-3-10(4-2-9)19-8-14(17)16-12-7-13-11(12)5-6-18-13/h1-4,11-13H,5-8H2,(H,16,17)/t11-,12+,13+/m1/s1
InChIKeyNPRVAJOREMIWHZ-AGIUHOORSA-N
XLogP1.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792621
4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide
CID 91788204
2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128969807
2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133265530
N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 156608301
2-naphthalen-2-yl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268711
4-[[2-(4-fluorophenoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79209208
2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
CID 91789422
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039908
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide
CID 133265817
2-(4-fluorophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 110731293

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 91791644) is 2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is O=C(COc1ccc(F)cc1)N[C@H]1C[C@@H]2OCC[C@H]12.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is NPRVAJOREMIWHZ-AGIUHOORSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-9-1-3-10(4-2-9)19-8-14(17)16-12-7-13-11(12)5-6-18-13/h1-4,11-13H,5-8H2,(H,16,17)/t11-,12+,13+/m1/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 265.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 91791644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).