3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide

C19H26FNO3 — CID 91787881

IUPAC3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide
SMILESO=C(CCc1ccccc1F)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C19H26FNO3/c20-17-4-2-1-3-15(17)5-6-19(22)21-18-9-12-24-13-16(18)14-7-10-23-11-8-14/h1-4,14,16,18H,5-13H2,(H,21,22)/t16-,18-/m0/s1
InChIKeyCWBJQWQSTCRCFX-WMZOPIPTSA-N
MW335.42 g/mol
LogP2.71
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide

3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide (PubChem CID 91787881) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide
PubChem CID91787881
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide
SMILESO=C(CCc1ccccc1F)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C19H26FNO3/c20-17-4-2-1-3-15(17)5-6-19(22)21-18-9-12-24-13-16(18)14-7-10-23-11-8-14/h1-4,14,16,18H,5-13H2,(H,21,22)/t16-,18-/m0/s1
InChIKeyCWBJQWQSTCRCFX-WMZOPIPTSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclohexanecarboxamide
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2-fluoro-3-methyl-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]benzamide
CID 91770918
3-(3,4-dimethylphenyl)-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide (CID 91787881) is 3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide is O=C(CCc1ccccc1F)N[C@H]1CCOC[C@H]1C1CCOCC1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide?
The InChIKey is CWBJQWQSTCRCFX-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H26FNO3/c20-17-4-2-1-3-15(17)5-6-19(22)21-18-9-12-24-13-16(18)14-7-10-23-11-8-14/h1-4,14,16,18H,5-13H2,(H,21,22)/t16-,18-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide?
3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide has a molecular weight of 335.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide is sourced from PubChem (CID 91787881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).