4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C13H15F3N2O2 — CID 61215179

IUPAC4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2/c1-20-8-6-11(17-7-8)12(19)18-10-5-3-2-4-9(10)13(14,15)16/h2-5,8,11,17H,6-7H2,1H3,(H,18,19)
InChIKeyMRYBSHBHHUISQN-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.02
Rot. Bonds3

About 4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 61215179) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID61215179
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O2/c1-20-8-6-11(17-7-8)12(19)18-10-5-3-2-4-9(10)13(14,15)16/h2-5,8,11,17H,6-7H2,1H3,(H,18,19)
InChIKeyMRYBSHBHHUISQN-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213078
4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 61214477
N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213314
5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide
CID 63102747
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 107273646
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 114422580
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213324
(2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979038
N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214081

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 61215179) is 4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MRYBSHBHHUISQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-20-8-6-11(17-7-8)12(19)18-10-5-3-2-4-9(10)13(14,15)16/h2-5,8,11,17H,6-7H2,1H3,(H,18,19).
What are the key properties of 4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61215179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).