N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide

C18H21F3N2O3 — CID 45235022

IUPACN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C1CCOCC1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)15-4-2-1-3-13(15)10-23-11-14(9-16(23)24)22-17(25)12-5-7-26-8-6-12/h1-4,12,14H,5-11H2,(H,22,25)
InChIKeyNXPRQQOPESJTDE-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.35
Rot. Bonds4

About N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide

N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 45235022) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID45235022
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC NameN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C1CCOCC1
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)15-4-2-1-3-13(15)10-23-11-14(9-16(23)24)22-17(25)12-5-7-26-8-6-12/h1-4,12,14H,5-11H2,(H,22,25)
InChIKeyNXPRQQOPESJTDE-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide (CID 45235022) is N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide is O=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)C1CCOCC1.
What is the InChIKey of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is NXPRQQOPESJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c19-18(20,21)15-4-2-1-3-13(15)10-23-11-14(9-16(23)24)22-17(25)12-5-7-26-8-6-12/h1-4,12,14H,5-11H2,(H,22,25).
What are the key properties of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide?
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 45235022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).