N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide

C16H21F3N2O2 — CID 119344757

IUPACN-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
SMILESCCC(CNC(=O)C1CCCN1)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-2-11(10-21-15(22)13-7-5-9-20-13)23-14-8-4-3-6-12(14)16(17,18)19/h3-4,6,8,11,13,20H,2,5,7,9-10H2,1H3,(H,21,22)
InChIKeyAFQOGCGMDVYBCC-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.73
Rot. Bonds6

About N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide

N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide (PubChem CID 119344757) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
PubChem CID119344757
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
SMILESCCC(CNC(=O)C1CCCN1)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-2-11(10-21-15(22)13-7-5-9-20-13)23-14-8-4-3-6-12(14)16(17,18)19/h3-4,6,8,11,13,20H,2,5,7,9-10H2,1H3,(H,21,22)
InChIKeyAFQOGCGMDVYBCC-UHFFFAOYSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide
CID 119344747
(2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
CID 97018652
N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
CID 119340528
N-[(2S)-2-[2-(trifluoromethyl)phenoxy]butyl]oxane-4-carboxamide
CID 97016575
(2S,5R)-5-(aminomethyl)-N-[2-[2-(trifluoromethyl)phenoxy]butyl]oxolane-2-carboxamide;hydrochloride
CID 120796477
N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
CID 119340615
N-[2-(2-fluorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335715
N-[2-(2-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119813317
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522
(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide (CID 119344757) is N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide is CCC(CNC(=O)C1CCCN1)Oc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide?
The InChIKey is AFQOGCGMDVYBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-2-11(10-21-15(22)13-7-5-9-20-13)23-14-8-4-3-6-12(14)16(17,18)19/h3-4,6,8,11,13,20H,2,5,7,9-10H2,1H3,(H,21,22).
What are the key properties of N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide?
N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119344757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).