[(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate

C21H17F2NO2 — CID 56528264

IUPAC[(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate
SMILESO=C(CCc1ccc(F)cc1)OC(c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C21H17F2NO2/c22-17-10-7-15(8-11-17)9-12-20(25)26-21(19-6-1-2-13-24-19)16-4-3-5-18(23)14-16/h1-8,10-11,13-14,21H,9,12H2
InChIKeyLNBZMXVAPXMOPX-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.63
Rot. Bonds6

About [(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate

[(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate (PubChem CID 56528264) has the molecular formula C21H17F2NO2 and a molecular weight of 353.37 g/mol. Its IUPAC name is [(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate
PubChem CID56528264
Molecular FormulaC21H17F2NO2
Molecular Weight353.37 g/mol
Exact Mass353.12
IUPAC Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate
SMILESO=C(CCc1ccc(F)cc1)OC(c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C21H17F2NO2/c22-17-10-7-15(8-11-17)9-12-20(25)26-21(19-6-1-2-13-24-19)16-4-3-5-18(23)14-16/h1-8,10-11,13-14,21H,9,12H2
InChIKeyLNBZMXVAPXMOPX-UHFFFAOYSA-N
XLogP4.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-phenylbutanoate
CID 56528308
[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate
CID 56528275
[(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate
CID 71859545
[(3-fluorophenyl)-pyridin-2-ylmethyl] 5-methylthiophene-2-carboxylate
CID 56528272
[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 60615686
lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide
CID 174704336
[phenyl(pyridin-2-yl)methyl] 3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 137316814
4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide
CID 52524823
[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 56528338
[(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate
CID 145114643
[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 56528329
(2-chlorophenyl) 3-(3-fluorophenyl)propanoate
CID 78829873

Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate?
The IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate (CID 56528264) is [(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate.
What is the SMILES notation for [(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate?
The canonical SMILES for [(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate is O=C(CCc1ccc(F)cc1)OC(c1cccc(F)c1)c1ccccn1.
What is the InChIKey of [(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate?
The InChIKey is LNBZMXVAPXMOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO2/c22-17-10-7-15(8-11-17)9-12-20(25)26-21(19-6-1-2-13-24-19)16-4-3-5-18(23)14-16/h1-8,10-11,13-14,21H,9,12H2.
What are the key properties of [(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate?
[(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate has a molecular weight of 353.37 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 56528264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).