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

C20H19FN4O2 — CID 121149899

IUPAC2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C20H19FN4O2/c21-17-8-4-5-9-19(17)27-14-20(26)24-11-10-16(12-24)25-13-18(22-23-25)15-6-2-1-3-7-15/h1-9,13,16H,10-12,14H2
InChIKeyXALVKRLYRCTJEO-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.94
Rot. Bonds5

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

2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone (PubChem CID 121149899) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
PubChem CID121149899
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C20H19FN4O2/c21-17-8-4-5-9-19(17)27-14-20(26)24-11-10-16(12-24)25-13-18(22-23-25)15-6-2-1-3-7-15/h1-9,13,16H,10-12,14H2
InChIKeyXALVKRLYRCTJEO-UHFFFAOYSA-N
XLogP2.94
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124727622
N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150134
N-(2-ethoxyphenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150153
2-benzylsulfanyl-1-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99986511
(2,6-dimethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149915
3-phenylsulfanyl-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 86264909
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
3-(benzenesulfonyl)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 121149932
2-(1-adamantyl)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121150012
2-(2-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997580
3-(4-methylsulfanylphenyl)-1-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 99986656
2-(3-methylphenyl)-1-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99986480

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone (CID 121149899) is 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone is O=C(COc1ccccc1F)N1CCC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is XALVKRLYRCTJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-17-8-4-5-9-19(17)27-14-20(26)24-11-10-16(12-24)25-13-18(22-23-25)15-6-2-1-3-7-15/h1-9,13,16H,10-12,14H2.
What are the key properties of 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 366.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 121149899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).