4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C13H15F3N2O — CID 114486929

IUPAC4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC1(c2cccc(C(F)(F)F)c2)CNCC1C(N)=O
InChIInChI=1S/C13H15F3N2O/c1-12(7-18-6-10(12)11(17)19)8-3-2-4-9(5-8)13(14,15)16/h2-5,10,18H,6-7H2,1H3,(H2,17,19)
InChIKeyFVEUMUAOXFRZAG-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.67
Rot. Bonds2

About 4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 114486929) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID114486929
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC1(c2cccc(C(F)(F)F)c2)CNCC1C(N)=O
InChIInChI=1S/C13H15F3N2O/c1-12(7-18-6-10(12)11(17)19)8-3-2-4-9(5-8)13(14,15)16/h2-5,10,18H,6-7H2,1H3,(H2,17,19)
InChIKeyFVEUMUAOXFRZAG-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 114486929) is 4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CC1(c2cccc(C(F)(F)F)c2)CNCC1C(N)=O.
What is the InChIKey of 4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is FVEUMUAOXFRZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-12(7-18-6-10(12)11(17)19)8-3-2-4-9(5-8)13(14,15)16/h2-5,10,18H,6-7H2,1H3,(H2,17,19).
What are the key properties of 4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 114486929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).