N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide

C14H17F3N2O2 — CID 119736792

IUPACN-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCOc1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-1-3-12(4-2-11)21-8-7-19-13(20)10-5-6-18-9-10/h1-4,10,18H,5-9H2,(H,19,20)
InChIKeyGNAXLNCXSARRDG-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.81
Rot. Bonds5

About N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide

N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide (PubChem CID 119736792) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
PubChem CID119736792
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCOc1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)11-1-3-12(4-2-11)21-8-7-19-13(20)10-5-6-18-9-10/h1-4,10,18H,5-9H2,(H,19,20)
InChIKeyGNAXLNCXSARRDG-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-dioxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]thiolane-3-carboxamide
CID 55803512
1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 55803507
N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119320549
N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119746787
(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide
CID 124687672
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 63827244
(2S,4S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylpiperidine-4-carboxamide
CID 120618324
N-[2-(4-butoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714749
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 119736772
1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
CID 95299326

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide (CID 119736792) is N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide is O=C(NCCOc1ccc(C(F)(F)F)cc1)C1CCNC1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is GNAXLNCXSARRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)11-1-3-12(4-2-11)21-8-7-19-13(20)10-5-6-18-9-10/h1-4,10,18H,5-9H2,(H,19,20).
What are the key properties of N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide?
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119736792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).