N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C17H20F4N2O3 — CID 55607680

IUPACN-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C17H20F4N2O3/c18-13-3-5-14(6-4-13)26-8-2-1-7-22-16(25)12-9-15(24)23(10-12)11-17(19,20)21/h3-6,12H,1-2,7-11H2,(H,22,25)
InChIKeyYYEHHAFLEDKQSF-UHFFFAOYSA-N
MW376.35 g/mol
LogP2.51
Rot. Bonds8

About N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 55607680) has the molecular formula C17H20F4N2O3 and a molecular weight of 376.35 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID55607680
Molecular FormulaC17H20F4N2O3
Molecular Weight376.35 g/mol
Exact Mass376.14
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C17H20F4N2O3/c18-13-3-5-14(6-4-13)26-8-2-1-7-22-16(25)12-9-15(24)23(10-12)11-17(19,20)21/h3-6,12H,1-2,7-11H2,(H,22,25)
InChIKeyYYEHHAFLEDKQSF-UHFFFAOYSA-N
XLogP2.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 43170784
(3R)-N-[3-(3-fluorophenyl)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95234126
1-(2,3-dimethylphenyl)-N-[4-(4-fluorophenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 46593308
N-[4-(3-amino-3-oxopropoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55839861
(3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 124537618
1-[2-(4-methoxyphenoxy)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113185431
1-(furan-2-ylmethyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751444
(3S)-N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 35697948
(3S)-N-[2-(4-fluorophenoxy)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 37362337
N-[2-(4-fluorophenoxy)ethyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46599827
1-(2-fluoro-4-methylphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751672
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 9373889

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 55607680) is N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCCCCOc1ccc(F)cc1)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is YYEHHAFLEDKQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N2O3/c18-13-3-5-14(6-4-13)26-8-2-1-7-22-16(25)12-9-15(24)23(10-12)11-17(19,20)21/h3-6,12H,1-2,7-11H2,(H,22,25).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 376.35 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55607680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).