3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one

C18H18FNO2 — CID 130404549

IUPAC3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H18FNO2/c1-22-17-5-3-2-4-16(17)20-11-10-14(18(20)21)12-13-6-8-15(19)9-7-13/h2-9,14H,10-12H2,1H3
InChIKeyZXDHFEKPBMDYRC-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.43
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one

3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 130404549) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
PubChem CID130404549
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H18FNO2/c1-22-17-5-3-2-4-16(17)20-11-10-14(18(20)21)12-13-6-8-15(19)9-7-13/h2-9,14H,10-12H2,1H3
InChIKeyZXDHFEKPBMDYRC-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one (CID 130404549) is 3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one is COc1ccccc1N1CCC(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is ZXDHFEKPBMDYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-22-17-5-3-2-4-16(17)20-11-10-14(18(20)21)12-13-6-8-15(19)9-7-13/h2-9,14H,10-12H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 299.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 130404549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).