1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone

C15H20FNO3 — CID 64597987

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOCC1CCN(CC(=O)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C15H20FNO3/c1-19-10-11-5-6-17(8-11)9-14(18)12-3-4-15(20-2)13(16)7-12/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyPLRQICNASQXRFQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.99
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone

1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 64597987) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID64597987
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOCC1CCN(CC(=O)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C15H20FNO3/c1-19-10-11-5-6-17(8-11)9-14(18)12-3-4-15(20-2)13(16)7-12/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyPLRQICNASQXRFQ-UHFFFAOYSA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62972902
1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62052732
1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81205009
1-(3-bromophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597175
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
1-(3-fluoro-4-methoxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62023135
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974
1-(5-fluoro-2-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626411
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227568
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 64597172
4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone (CID 64597987) is 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone is COCC1CCN(CC(=O)c2ccc(OC)c(F)c2)C1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is PLRQICNASQXRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-19-10-11-5-6-17(8-11)9-14(18)12-3-4-15(20-2)13(16)7-12/h3-4,7,11H,5-6,8-10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 281.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 64597987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).