3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide

C26H27FN2O3 — CID 124761427

IUPAC3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide
SMILESO=C(CCc1cccc(Oc2ccc(F)cc2)c1)N[C@H](c1cccnc1)C1CCOCC1
InChIInChI=1S/C26H27FN2O3/c27-22-7-9-23(10-8-22)32-24-5-1-3-19(17-24)6-11-25(30)29-26(20-12-15-31-16-13-20)21-4-2-14-28-18-21/h1-5,7-10,14,17-18,20,26H,6,11-13,15-16H2,(H,29,30)/t26-/m0/s1
InChIKeyZHLOYAOXXLAFJO-SANMLTNESA-N
MW434.51 g/mol
LogP5.23
Rot. Bonds8

About 3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide

3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide (PubChem CID 124761427) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is 3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide
PubChem CID124761427
Molecular FormulaC26H27FN2O3
Molecular Weight434.51 g/mol
Exact Mass434.20
IUPAC Name3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide
SMILESO=C(CCc1cccc(Oc2ccc(F)cc2)c1)N[C@H](c1cccnc1)C1CCOCC1
InChIInChI=1S/C26H27FN2O3/c27-22-7-9-23(10-8-22)32-24-5-1-3-19(17-24)6-11-25(30)29-26(20-12-15-31-16-13-20)21-4-2-14-28-18-21/h1-5,7-10,14,17-18,20,26H,6,11-13,15-16H2,(H,29,30)/t26-/m0/s1
InChIKeyZHLOYAOXXLAFJO-SANMLTNESA-N
XLogP5.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide
CID 91629768
2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 100699932
2-benzylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 91629752
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
CID 94633633
N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 100701151
3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629820
N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 129327822
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
3-[3-(4-fluorophenoxy)phenyl]-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621306
(E)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-3-phenylprop-2-enamide
CID 100699545

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide?
The IUPAC name of 3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide (CID 124761427) is 3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide?
The canonical SMILES for 3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide is O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N[C@H](c1cccnc1)C1CCOCC1.
What is the InChIKey of 3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide?
The InChIKey is ZHLOYAOXXLAFJO-SANMLTNESA-N. The full InChI is InChI=1S/C26H27FN2O3/c27-22-7-9-23(10-8-22)32-24-5-1-3-19(17-24)6-11-25(30)29-26(20-12-15-31-16-13-20)21-4-2-14-28-18-21/h1-5,7-10,14,17-18,20,26H,6,11-13,15-16H2,(H,29,30)/t26-/m0/s1.
What are the key properties of 3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide?
3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide has a molecular weight of 434.51 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide is sourced from PubChem (CID 124761427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).