5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide

C19H18F4N2O2 — CID 122578510

IUPAC5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(c2ccc(OC(c3ccccc3F)C(F)(F)F)cc2)N1
InChIInChI=1S/C19H18F4N2O2/c20-14-4-2-1-3-13(14)17(19(21,22)23)27-12-7-5-11(6-8-12)15-9-10-16(25-15)18(24)26/h1-8,15-17,25H,9-10H2,(H2,24,26)
InChIKeyFFRPNLYXJUUTPI-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.79
Rot. Bonds5

About 5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide

5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide (PubChem CID 122578510) has the molecular formula C19H18F4N2O2 and a molecular weight of 382.36 g/mol. Its IUPAC name is 5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide
PubChem CID122578510
Molecular FormulaC19H18F4N2O2
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC Name5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(c2ccc(OC(c3ccccc3F)C(F)(F)F)cc2)N1
InChIInChI=1S/C19H18F4N2O2/c20-14-4-2-1-3-13(14)17(19(21,22)23)27-12-7-5-11(6-8-12)15-9-10-16(25-15)18(24)26/h1-8,15-17,25H,9-10H2,(H2,24,26)
InChIKeyFFRPNLYXJUUTPI-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide (CID 122578510) is 5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide is NC(=O)C1CCC(c2ccc(OC(c3ccccc3F)C(F)(F)F)cc2)N1.
What is the InChIKey of 5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is FFRPNLYXJUUTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O2/c20-14-4-2-1-3-13(14)17(19(21,22)23)27-12-7-5-11(6-8-12)15-9-10-16(25-15)18(24)26/h1-8,15-17,25H,9-10H2,(H2,24,26).
What are the key properties of 5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide?
5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 382.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122578510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).