[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

C18H18FNO2 — CID 50747061

IUPAC[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2/c1-22-17-7-3-2-5-15(17)18(21)20-12-4-6-16(20)13-8-10-14(19)11-9-13/h2-3,5,7-11,16H,4,6,12H2,1H3
InChIKeyPAQCHKWGAPFWIT-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.81
Rot. Bonds3

About [2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 50747061) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID50747061
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C18H18FNO2/c1-22-17-7-3-2-5-15(17)18(21)20-12-4-6-16(20)13-8-10-14(19)11-9-13/h2-3,5,7-11,16H,4,6,12H2,1H3
InChIKeyPAQCHKWGAPFWIT-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 32840665
(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 110873124
[(3S,3aR,7aR)-3-(4-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-4-yl]-(2-methoxyphenyl)methanone
CID 92601171
(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 95001107
(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone
CID 102555243
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 124951328
[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 70744880
[2-(4-fluorophenyl)piperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 70772344
(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 50747061) is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is PAQCHKWGAPFWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-22-17-7-3-2-5-15(17)18(21)20-12-4-6-16(20)13-8-10-14(19)11-9-13/h2-3,5,7-11,16H,4,6,12H2,1H3.
What are the key properties of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 299.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 50747061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).