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

C19H18F4N2O2 — CID 122555289

IUPAC(2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](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)/t15-,16+,17?/m1/s1
InChIKeyFFRPNLYXJUUTPI-GARXDOFDSA-N
MW382.36 g/mol
LogP3.79
Rot. Bonds5

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

(2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide (PubChem CID 122555289) has the molecular formula C19H18F4N2O2 and a molecular weight of 382.36 g/mol. Its IUPAC name is (2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide
PubChem CID122555289
Molecular FormulaC19H18F4N2O2
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC Name(2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](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)/t15-,16+,17?/m1/s1
InChIKeyFFRPNLYXJUUTPI-GARXDOFDSA-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 (2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide (CID 122555289) is (2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CC[C@H](c2ccc(OC(c3ccccc3F)C(F)(F)F)cc2)N1.
What is the InChIKey of (2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is FFRPNLYXJUUTPI-GARXDOFDSA-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)/t15-,16+,17?/m1/s1.
What are the key properties of (2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide?
(2S,5R)-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 (2S,5R)-5-[4-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122555289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).