N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide

C16H18F6N2O2 — CID 118661126

IUPACN-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN1
InChIInChI=1S/C16H18F6N2O2/c17-15(18,19)10-7-11(16(20,21)22)9-12(8-10)26-6-2-5-24-14(25)13-3-1-4-23-13/h7-9,13,23H,1-6H2,(H,24,25)
InChIKeyOYFSRMPGXBPUNO-UHFFFAOYSA-N
MW384.32 g/mol
LogP3.36
Rot. Bonds6

About N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide

N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide (PubChem CID 118661126) has the molecular formula C16H18F6N2O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
PubChem CID118661126
Molecular FormulaC16H18F6N2O2
Molecular Weight384.32 g/mol
Exact Mass384.13
IUPAC NameN-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN1
InChIInChI=1S/C16H18F6N2O2/c17-15(18,19)10-7-11(16(20,21)22)9-12(8-10)26-6-2-5-24-14(25)13-3-1-4-23-13/h7-9,13,23H,1-6H2,(H,24,25)
InChIKeyOYFSRMPGXBPUNO-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 53.36
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

N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119308262
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119266831
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
N-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxamide
CID 119266821
3-(pyrrolidine-2-carbonylamino)propyl nitrate
CID 67830353
N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide
CID 91660203
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 81434241

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide (CID 118661126) is N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide is O=C(NCCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN1.
What is the InChIKey of N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide?
The InChIKey is OYFSRMPGXBPUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F6N2O2/c17-15(18,19)10-7-11(16(20,21)22)9-12(8-10)26-6-2-5-24-14(25)13-3-1-4-23-13/h7-9,13,23H,1-6H2,(H,24,25).
What are the key properties of N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide?
N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide has a molecular weight of 384.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3,5-bis(trifluoromethyl)phenoxy]propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118661126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).