(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

C13H15F3N2O2 — CID 61253216

IUPAC(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCCN1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-6-2-1-4-9(11)8-18-12(19)10-5-3-7-17-10/h1-2,4,6,10,17H,3,5,7-8H2,(H,18,19)/t10-/m0/s1
InChIKeyWCWRZOFWOKUZQH-JTQLQIEISA-N
MW288.27 g/mol
LogP1.95
Rot. Bonds4

About (2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 61253216) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is (2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID61253216
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCCN1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-6-2-1-4-9(11)8-18-12(19)10-5-3-7-17-10/h1-2,4,6,10,17H,3,5,7-8H2,(H,18,19)/t10-/m0/s1
InChIKeyWCWRZOFWOKUZQH-JTQLQIEISA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 61254583
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 61254584
N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280684
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119275604
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119275613
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119275603
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide
CID 64563962
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 61253216) is (2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is WCWRZOFWOKUZQH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-6-2-1-4-9(11)8-18-12(19)10-5-3-7-17-10/h1-2,4,6,10,17H,3,5,7-8H2,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61253216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).