N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

C19H24F3N3O3 — CID 47039152

IUPACN-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H24F3N3O3/c20-19(21,22)16-3-1-2-14(10-16)12-25-13-15(11-17(25)26)18(27)23-4-5-24-6-8-28-9-7-24/h1-3,10,15H,4-9,11-13H2,(H,23,27)
InChIKeyHFQXRVBBVYMSTA-UHFFFAOYSA-N
MW399.41 g/mol
LogP1.50
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 47039152) has the molecular formula C19H24F3N3O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID47039152
Molecular FormulaC19H24F3N3O3
Molecular Weight399.41 g/mol
Exact Mass399.18
IUPAC NameN-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H24F3N3O3/c20-19(21,22)16-3-1-2-14(10-16)12-25-13-15(11-17(25)26)18(27)23-4-5-24-6-8-28-9-7-24/h1-3,10,15H,4-9,11-13H2,(H,23,27)
InChIKeyHFQXRVBBVYMSTA-UHFFFAOYSA-N
XLogP1.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 47039152) is N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is O=C(NCCN1CCOCC1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is HFQXRVBBVYMSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O3/c20-19(21,22)16-3-1-2-14(10-16)12-25-13-15(11-17(25)26)18(27)23-4-5-24-6-8-28-9-7-24/h1-3,10,15H,4-9,11-13H2,(H,23,27).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 47039152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).