N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide

C19H21FN2O3 — CID 95625827

IUPACN-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COC[C@H]1CCCO1)N(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c20-16-5-7-17(8-6-16)22(12-15-3-1-9-21-11-15)19(23)14-24-13-18-4-2-10-25-18/h1,3,5-9,11,18H,2,4,10,12-14H2/t18-/m1/s1
InChIKeyTXXUYGNJBMVQER-GOSISDBHSA-N
MW344.39 g/mol
LogP2.95
Rot. Bonds7

About N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide

N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 95625827) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID95625827
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COC[C@H]1CCCO1)N(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c20-16-5-7-17(8-6-16)22(12-15-3-1-9-21-11-15)19(23)14-24-13-18-4-2-10-25-18/h1,3,5-9,11,18H,2,4,10,12-14H2/t18-/m1/s1
InChIKeyTXXUYGNJBMVQER-GOSISDBHSA-N
XLogP2.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 95625827) is N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide is O=C(COC[C@H]1CCCO1)N(Cc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is TXXUYGNJBMVQER-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-16-5-7-17(8-6-16)22(12-15-3-1-9-21-11-15)19(23)14-24-13-18-4-2-10-25-18/h1,3,5-9,11,18H,2,4,10,12-14H2/t18-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide?
N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 95625827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).