[4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone

C21H23FN2O2 — CID 68811963

IUPAC[4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2)cc1)C1CCCN1C1CCNC1
InChIInChI=1S/C21H23FN2O2/c22-16-5-9-19(10-6-16)26-18-7-3-15(4-8-18)21(25)20-2-1-13-24(20)17-11-12-23-14-17/h3-10,17,20,23H,1-2,11-14H2
InChIKeyABGYOOFZJVFJLY-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.63
Rot. Bonds5

About [4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone

[4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone (PubChem CID 68811963) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
PubChem CID68811963
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name[4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2)cc1)C1CCCN1C1CCNC1
InChIInChI=1S/C21H23FN2O2/c22-16-5-9-19(10-6-16)26-18-7-3-15(4-8-18)21(25)20-2-1-13-24(20)17-11-12-23-14-17/h3-10,17,20,23H,1-2,11-14H2
InChIKeyABGYOOFZJVFJLY-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone (CID 68811963) is [4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone is O=C(c1ccc(Oc2ccc(F)cc2)cc1)C1CCCN1C1CCNC1.
What is the InChIKey of [4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
The InChIKey is ABGYOOFZJVFJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-16-5-9-19(10-6-16)26-18-7-3-15(4-8-18)21(25)20-2-1-13-24(20)17-11-12-23-14-17/h3-10,17,20,23H,1-2,11-14H2.
What are the key properties of [4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone?
[4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone has a molecular weight of 354.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 68811963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).