1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one

C17H15F2NO2 — CID 141084193

IUPAC1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(OCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H15F2NO2/c18-15-8-3-12(10-16(15)19)11-22-14-6-4-13(5-7-14)20-9-1-2-17(20)21/h3-8,10H,1-2,9,11H2
InChIKeyZVFYLNYSDIXYRH-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.67
Rot. Bonds4

About 1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one

1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one (PubChem CID 141084193) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one
PubChem CID141084193
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(OCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H15F2NO2/c18-15-8-3-12(10-16(15)19)11-22-14-6-4-13(5-7-14)20-9-1-2-17(20)21/h3-8,10H,1-2,9,11H2
InChIKeyZVFYLNYSDIXYRH-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
CID 26053591
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate
CID 35545428
1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]pyrrolidin-2-one
CID 112808160
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one
CID 56797789
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 45181255
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 27172933
N'-(4-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetohydrazide
CID 71901454
2-[[4-(2-oxopyrrolidin-1-yl)phenoxy]methyl]benzonitrile
CID 26686013
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43351519
[4-(2-oxopyrrolidin-1-yl)phenyl] 4-chloro-2-fluorobenzenesulfonate
CID 26542625

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one (CID 141084193) is 1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(OCc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
The InChIKey is ZVFYLNYSDIXYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c18-15-8-3-12(10-16(15)19)11-22-14-6-4-13(5-7-14)20-9-1-2-17(20)21/h3-8,10H,1-2,9,11H2.
What are the key properties of 1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one has a molecular weight of 303.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,4-difluorophenyl)methoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 141084193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).