1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide

C23H21FN2O3 — CID 67375920

IUPAC1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(Oc2ccccc2)CN1c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c24-16-6-10-19(11-7-16)28-20-12-8-17(9-13-20)26-15-21(14-22(26)23(25)27)29-18-4-2-1-3-5-18/h1-13,21-22H,14-15H2,(H2,25,27)
InChIKeyGVCAZLWRJOTDNG-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.13
Rot. Bonds6

About 1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide

1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 67375920) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide
PubChem CID67375920
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(Oc2ccccc2)CN1c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c24-16-6-10-19(11-7-16)28-20-12-8-17(9-13-20)26-15-21(14-22(26)23(25)27)29-18-4-2-1-3-5-18/h1-13,21-22H,14-15H2,(H2,25,27)
InChIKeyGVCAZLWRJOTDNG-UHFFFAOYSA-N
XLogP4.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide (CID 67375920) is 1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide is NC(=O)C1CC(Oc2ccccc2)CN1c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is GVCAZLWRJOTDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-16-6-10-19(11-7-16)28-20-12-8-17(9-13-20)26-15-21(14-22(26)23(25)27)29-18-4-2-1-3-5-18/h1-13,21-22H,14-15H2,(H2,25,27).
What are the key properties of 1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide?
1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)phenyl]-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 67375920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).