1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one

C18H18FNO2 — CID 91915975

IUPAC1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CCC(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO2/c1-22-16-8-4-14(5-9-16)17-10-11-18(21)20(17)12-13-2-6-15(19)7-3-13/h2-9,17H,10-12H2,1H3
InChIKeyHRLCZFJWXISHLU-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.70
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one

1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 91915975) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID91915975
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CCC(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO2/c1-22-16-8-4-14(5-9-16)17-10-11-18(21)20(17)12-13-2-6-15(19)7-3-13/h2-9,17H,10-12H2,1H3
InChIKeyHRLCZFJWXISHLU-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one (CID 91915975) is 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(C2CCC(=O)N2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is HRLCZFJWXISHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-22-16-8-4-14(5-9-16)17-10-11-18(21)20(17)12-13-2-6-15(19)7-3-13/h2-9,17H,10-12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one?
1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 299.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 91915975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).