1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one

C18H18FNO2 — CID 122492399

IUPAC1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H18FNO2/c1-13-9-18(21)20(11-13)16-5-7-17(8-6-16)22-12-14-3-2-4-15(19)10-14/h2-8,10,13H,9,11-12H2,1H3
InChIKeyAFNHCTAQDXYRHG-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.78
Rot. Bonds4

About 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one

1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one (PubChem CID 122492399) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one
PubChem CID122492399
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H18FNO2/c1-13-9-18(21)20(11-13)16-5-7-17(8-6-16)22-12-14-3-2-4-15(19)10-14/h2-8,10,13H,9,11-12H2,1H3
InChIKeyAFNHCTAQDXYRHG-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate
CID 67411336
N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
CID 10246762
ethane;N-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]acetamide
CID 144836613
1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 67011889
tert-butyl N-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]carbamate
CID 68615181
2-phenylethyl (3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 91215206
(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide;(3R)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carbonitrile
CID 160501661
(3S)-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68614064
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 68614609
methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate
CID 10451017
4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one
CID 113190122

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one (CID 122492399) is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one is CC1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one?
The InChIKey is AFNHCTAQDXYRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13-9-18(21)20(11-13)16-5-7-17(8-6-16)22-12-14-3-2-4-15(19)10-14/h2-8,10,13H,9,11-12H2,1H3.
What are the key properties of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one?
1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one has a molecular weight of 299.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 122492399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).