[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H22FNO4 — CID 32840665

IUPAC[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C20H22FNO4/c1-24-17-11-14(12-18(25-2)19(17)26-3)20(23)22-10-4-5-16(22)13-6-8-15(21)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3/t16-/m1/s1
InChIKeyWBYVKBRNHBGCMD-MRXNPFEDSA-N
MW359.40 g/mol
LogP3.83
Rot. Bonds5

About [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 32840665) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID32840665
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C20H22FNO4/c1-24-17-11-14(12-18(25-2)19(17)26-3)20(23)22-10-4-5-16(22)13-6-8-15(21)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3/t16-/m1/s1
InChIKeyWBYVKBRNHBGCMD-MRXNPFEDSA-N
XLogP3.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 119033998
[2-(4-fluorophenyl)piperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 70772344
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659
[3-(4-fluorophenyl)azepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 72717451
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
(3-chloro-4,5-dimethoxyphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714352
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 94617936
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43048100
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 32840665) is [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WBYVKBRNHBGCMD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-24-17-11-14(12-18(25-2)19(17)26-3)20(23)22-10-4-5-16(22)13-6-8-15(21)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 359.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 32840665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).