2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone

C19H21FN2O2 — CID 110103555

IUPAC2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CCCC1CCc1ccncc1
InChIInChI=1S/C19H21FN2O2/c20-16-3-1-5-18(13-16)24-14-19(23)22-12-2-4-17(22)7-6-15-8-10-21-11-9-15/h1,3,5,8-11,13,17H,2,4,6-7,12,14H2
InChIKeyZMBHZRMDDZXDMT-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.22
Rot. Bonds6

About 2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone

2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone (PubChem CID 110103555) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
PubChem CID110103555
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CCCC1CCc1ccncc1
InChIInChI=1S/C19H21FN2O2/c20-16-3-1-5-18(13-16)24-14-19(23)22-12-2-4-17(22)7-6-15-8-10-21-11-9-15/h1,3,5,8-11,13,17H,2,4,6-7,12,14H2
InChIKeyZMBHZRMDDZXDMT-UHFFFAOYSA-N
XLogP3.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103556
2-(3-fluorophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260737
3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 124959275
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide
CID 131890711
1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996955
(2S)-2-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 90117469
2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110818418
3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 125012369
(6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 110103570
2-(3-fluorophenoxy)-1-[(2R)-2-[(3R,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129346265

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone (CID 110103555) is 2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone is O=C(COc1cccc(F)c1)N1CCCC1CCc1ccncc1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZMBHZRMDDZXDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-3-1-5-18(13-16)24-14-19(23)22-12-2-4-17(22)7-6-15-8-10-21-11-9-15/h1,3,5,8-11,13,17H,2,4,6-7,12,14H2.
What are the key properties of 2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone?
2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 328.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110103555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).