1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one

C22H27FN2O2 — CID 139015673

IUPAC1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one
SMILESCC(C)COc1cccc(CN(C)C2CCN(c3ccccc3F)C2=O)c1
InChIInChI=1S/C22H27FN2O2/c1-16(2)15-27-18-8-6-7-17(13-18)14-24(3)21-11-12-25(22(21)26)20-10-5-4-9-19(20)23/h4-10,13,16,21H,11-12,14-15H2,1-3H3
InChIKeyOAYKZTCLRLMMOP-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.10
Rot. Bonds7

About 1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one

1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one (PubChem CID 139015673) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one
PubChem CID139015673
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one
SMILESCC(C)COc1cccc(CN(C)C2CCN(c3ccccc3F)C2=O)c1
InChIInChI=1S/C22H27FN2O2/c1-16(2)15-27-18-8-6-7-17(13-18)14-24(3)21-11-12-25(22(21)26)20-10-5-4-9-19(20)23/h4-10,13,16,21H,11-12,14-15H2,1-3H3
InChIKeyOAYKZTCLRLMMOP-UHFFFAOYSA-N
XLogP4.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one (CID 139015673) is 1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one is CC(C)COc1cccc(CN(C)C2CCN(c3ccccc3F)C2=O)c1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one?
The InChIKey is OAYKZTCLRLMMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16(2)15-27-18-8-6-7-17(13-18)14-24(3)21-11-12-25(22(21)26)20-10-5-4-9-19(20)23/h4-10,13,16,21H,11-12,14-15H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one?
1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one has a molecular weight of 370.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 139015673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).