1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone

C24H23FN2O — CID 110254485

IUPAC1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC1c1cccc(Cc2ccccc2F)n1
InChIInChI=1S/C24H23FN2O/c25-21-12-5-4-10-19(21)17-20-11-6-13-22(26-20)23-14-7-15-27(23)24(28)16-18-8-2-1-3-9-18/h1-6,8-13,23H,7,14-17H2
InChIKeyHDPJOARQDYRNLD-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.72
Rot. Bonds5

About 1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone

1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 110254485) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone
PubChem CID110254485
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC1c1cccc(Cc2ccccc2F)n1
InChIInChI=1S/C24H23FN2O/c25-21-12-5-4-10-19(21)17-20-11-6-13-22(26-20)23-14-7-15-27(23)24(28)16-18-8-2-1-3-9-18/h1-6,8-13,23H,7,14-17H2
InChIKeyHDPJOARQDYRNLD-UHFFFAOYSA-N
XLogP4.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone (CID 110254485) is 1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCCC1c1cccc(Cc2ccccc2F)n1.
What is the InChIKey of 1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is HDPJOARQDYRNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O/c25-21-12-5-4-10-19(21)17-20-11-6-13-22(26-20)23-14-7-15-27(23)24(28)16-18-8-2-1-3-9-18/h1-6,8-13,23H,7,14-17H2.
What are the key properties of 1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone?
1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 374.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110254485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).