1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one

C18H17F2NO2 — CID 91888366

IUPAC1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CCC(=O)N2Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C18H17F2NO2/c1-23-16-4-2-13(3-5-16)17-6-7-18(22)21(17)11-12-8-14(19)10-15(20)9-12/h2-5,8-10,17H,6-7,11H2,1H3
InChIKeyZFRJLWLJXMGEPI-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.84
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one

1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 91888366) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID91888366
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CCC(=O)N2Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C18H17F2NO2/c1-23-16-4-2-13(3-5-16)17-6-7-18(22)21(17)11-12-8-14(19)10-15(20)9-12/h2-5,8-10,17H,6-7,11H2,1H3
InChIKeyZFRJLWLJXMGEPI-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one (CID 91888366) is 1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(C2CCC(=O)N2Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is ZFRJLWLJXMGEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c1-23-16-4-2-13(3-5-16)17-6-7-18(22)21(17)11-12-8-14(19)10-15(20)9-12/h2-5,8-10,17H,6-7,11H2,1H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 317.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 91888366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).