(2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone

C20H22FNO2 — CID 166619402

IUPAC(2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3c(C)cccc3F)C2)cc1
InChIInChI=1S/C20H22FNO2/c1-14-4-3-5-18(21)19(14)20(23)22-11-10-16(13-22)12-15-6-8-17(24-2)9-7-15/h3-9,16H,10-13H2,1-2H3
InChIKeyGADJFGJZFIARDC-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.85
Rot. Bonds4

About (2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone

(2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 166619402) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
PubChem CID166619402
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(CC2CCN(C(=O)c3c(C)cccc3F)C2)cc1
InChIInChI=1S/C20H22FNO2/c1-14-4-3-5-18(21)19(14)20(23)22-11-10-16(13-22)12-15-6-8-17(24-2)9-7-15/h3-9,16H,10-13H2,1-2H3
InChIKeyGADJFGJZFIARDC-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)-1-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 166622977
(2,6-dimethoxyphenyl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166618521
4-[[(3S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870038
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 166621082
4-[[(3R)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870039
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119934296
(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 166620870
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170072
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
(2,6-dimethyl-4-pyridinyl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166623325
[(3R)-3-aminopyrrolidin-1-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 119409169

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone (CID 166619402) is (2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone is COc1ccc(CC2CCN(C(=O)c3c(C)cccc3F)C2)cc1.
What is the InChIKey of (2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is GADJFGJZFIARDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-14-4-3-5-18(21)19(14)20(23)22-11-10-16(13-22)12-15-6-8-17(24-2)9-7-15/h3-9,16H,10-13H2,1-2H3.
What are the key properties of (2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
(2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 327.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylphenyl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166619402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).