1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone

C18H19FN2O2 — CID 122578531

IUPAC1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CCC(c2ccc(OCc3ccccc3F)nc2)N1
InChIInChI=1S/C18H19FN2O2/c1-12(22)16-7-8-17(21-16)13-6-9-18(20-10-13)23-11-14-4-2-3-5-15(14)19/h2-6,9-10,16-17,21H,7-8,11H2,1H3
InChIKeyINAZSNNXJVWLPC-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.18
Rot. Bonds5

About 1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone

1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone (PubChem CID 122578531) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone
PubChem CID122578531
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CCC(c2ccc(OCc3ccccc3F)nc2)N1
InChIInChI=1S/C18H19FN2O2/c1-12(22)16-7-8-17(21-16)13-6-9-18(20-10-13)23-11-14-4-2-3-5-15(14)19/h2-6,9-10,16-17,21H,7-8,11H2,1H3
InChIKeyINAZSNNXJVWLPC-UHFFFAOYSA-N
XLogP3.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone (CID 122578531) is 1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone is CC(=O)C1CCC(c2ccc(OCc3ccccc3F)nc2)N1.
What is the InChIKey of 1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone?
The InChIKey is INAZSNNXJVWLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12(22)16-7-8-17(21-16)13-6-9-18(20-10-13)23-11-14-4-2-3-5-15(14)19/h2-6,9-10,16-17,21H,7-8,11H2,1H3.
What are the key properties of 1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone?
1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone has a molecular weight of 314.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-[(2-fluorophenyl)methoxy]-3-pyridinyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 122578531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).