(2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C23H26F3N3O2 — CID 153133386

IUPAC(2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@]1(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)19-8-4-9-20(16-19)27-21(30)29-11-5-10-22(29,18-6-2-1-3-7-18)17-28-12-14-31-15-13-28/h1-4,6-9,16H,5,10-15,17H2,(H,27,30)/t22-/m1/s1
InChIKeyVXEIRRLAFJWIHD-JOCHJYFZSA-N
MW433.47 g/mol
LogP4.56
Rot. Bonds4

About (2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

(2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 153133386) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is (2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID153133386
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name(2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@]1(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)19-8-4-9-20(16-19)27-21(30)29-11-5-10-22(29,18-6-2-1-3-7-18)17-28-12-14-31-15-13-28/h1-4,6-9,16H,5,10-15,17H2,(H,27,30)/t22-/m1/s1
InChIKeyVXEIRRLAFJWIHD-JOCHJYFZSA-N
XLogP4.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 153133386) is (2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@]1(CN1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is VXEIRRLAFJWIHD-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c24-23(25,26)19-8-4-9-20(16-19)27-21(30)29-11-5-10-22(29,18-6-2-1-3-7-18)17-28-12-14-31-15-13-28/h1-4,6-9,16H,5,10-15,17H2,(H,27,30)/t22-/m1/s1.
What are the key properties of (2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
(2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(morpholin-4-ylmethyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 153133386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).