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

C16H20FNO2 — CID 91788204

IUPAC4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide
SMILESO=C(CCCc1ccc(F)cc1)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C16H20FNO2/c17-12-6-4-11(5-7-12)2-1-3-16(19)18-14-10-15-13(14)8-9-20-15/h4-7,13-15H,1-3,8-10H2,(H,18,19)/t13-,14+,15+/m1/s1
InChIKeyDAILBHIANBOVRX-ILXRZTDVSA-N
MW277.34 g/mol
LogP2.44
Rot. Bonds5

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

4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide (PubChem CID 91788204) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide
PubChem CID91788204
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide
SMILESO=C(CCCc1ccc(F)cc1)N[C@H]1C[C@@H]2OCC[C@H]12
InChIInChI=1S/C16H20FNO2/c17-12-6-4-11(5-7-12)2-1-3-16(19)18-14-10-15-13(14)8-9-20-15/h4-7,13-15H,1-3,8-10H2,(H,18,19)/t13-,14+,15+/m1/s1
InChIKeyDAILBHIANBOVRX-ILXRZTDVSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenylpentanamide
CID 133265817
4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide
CID 91763561
2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91791644
2-(4-chlorophenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268040
2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792975
2-naphthalen-2-yl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268711
3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91761948
5-(4-fluorophenyl)-N-formylpentanamide
CID 145350810
3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128969379
5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 172660232
4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712334
2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133267562

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide (CID 91788204) is 4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide is O=C(CCCc1ccc(F)cc1)N[C@H]1C[C@@H]2OCC[C@H]12.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide?
The InChIKey is DAILBHIANBOVRX-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-12-6-4-11(5-7-12)2-1-3-16(19)18-14-10-15-13(14)8-9-20-15/h4-7,13-15H,1-3,8-10H2,(H,18,19)/t13-,14+,15+/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide?
4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide has a molecular weight of 277.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]butanamide is sourced from PubChem (CID 91788204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).