tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate

C22H24FNO3 — CID 77421221

IUPACtert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC1Cc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C22H24FNO3/c1-22(2,3)27-21(26)24-19(11-12-20(24)25)13-15-7-9-16(10-8-15)17-5-4-6-18(23)14-17/h4-10,14,19H,11-13H2,1-3H3
InChIKeySLTWFTODFYNJPS-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.96
Rot. Bonds3

About tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 77421221) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID77421221
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Nametert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC1Cc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C22H24FNO3/c1-22(2,3)27-21(26)24-19(11-12-20(24)25)13-15-7-9-16(10-8-15)17-5-4-6-18(23)14-17/h4-10,14,19H,11-13H2,1-3H3
InChIKeySLTWFTODFYNJPS-UHFFFAOYSA-N
XLogP4.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate (CID 77421221) is tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CCC1Cc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is SLTWFTODFYNJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-22(2,3)27-21(26)24-19(11-12-20(24)25)13-15-7-9-16(10-8-15)17-5-4-6-18(23)14-17/h4-10,14,19H,11-13H2,1-3H3.
What are the key properties of tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(3-fluorophenyl)phenyl]methyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 77421221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).