(2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C15H19F3N2O2 — CID 128979840

IUPAC(2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(C(F)(F)F)cc2C)C1
InChIInChI=1S/C15H19F3N2O2/c1-9-5-11(15(16,17)18)4-3-10(9)7-20-8-12(22-2)6-13(20)14(19)21/h3-5,12-13H,6-8H2,1-2H3,(H2,19,21)/t12-,13-/m0/s1
InChIKeyCHEOQSGGOYUBEX-STQMWFEESA-N
MW316.32 g/mol
LogP2.09
Rot. Bonds4

About (2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 128979840) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID128979840
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name(2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(C(F)(F)F)cc2C)C1
InChIInChI=1S/C15H19F3N2O2/c1-9-5-11(15(16,17)18)4-3-10(9)7-20-8-12(22-2)6-13(20)14(19)21/h3-5,12-13H,6-8H2,1-2H3,(H2,19,21)/t12-,13-/m0/s1
InChIKeyCHEOQSGGOYUBEX-STQMWFEESA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843729
(2S,4S)-1-[(5-bromo-2-chlorophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979984
[5-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120842986
(2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 128979723
(2S,4S)-1-[(5-chloroquinolin-8-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979983
(2S,4S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidine-2-carboxamide
CID 128980039
(2S,4S)-1-[3-fluoro-5-(trifluoromethyl)benzoyl]-4-methoxypyrrolidine-2-carboxamide
CID 128983742
(2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128980014
(2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 128979751
(2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 128982212
3-amino-N-[[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911502
(2S,4R)-4-methoxy-1-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxylic acid
CID 166295138

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 128979840) is (2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(C(F)(F)F)cc2C)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is CHEOQSGGOYUBEX-STQMWFEESA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-9-5-11(15(16,17)18)4-3-10(9)7-20-8-12(22-2)6-13(20)14(19)21/h3-5,12-13H,6-8H2,1-2H3,(H2,19,21)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 128979840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).