(3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C19H19F3N2O — CID 46215443

IUPAC(3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)15-8-6-14(7-9-15)16-11-23-12-17(16)18(25)24-10-13-4-2-1-3-5-13/h1-9,16-17,23H,10-12H2,(H,24,25)/t16-,17+/m0/s1
InChIKeyRAHNYIUZMXWNIN-DLBZAZTESA-N
MW348.37 g/mol
LogP3.32
Rot. Bonds4

About (3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46215443) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is (3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID46215443
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name(3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)15-8-6-14(7-9-15)16-11-23-12-17(16)18(25)24-10-13-4-2-1-3-5-13/h1-9,16-17,23H,10-12H2,(H,24,25)/t16-,17+/m0/s1
InChIKeyRAHNYIUZMXWNIN-DLBZAZTESA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 46215443) is (3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(NCc1ccccc1)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is RAHNYIUZMXWNIN-DLBZAZTESA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)15-8-6-14(7-9-15)16-11-23-12-17(16)18(25)24-10-13-4-2-1-3-5-13/h1-9,16-17,23H,10-12H2,(H,24,25)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46215443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).