4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide

C14H17F3N2O2 — CID 63714279

IUPAC4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-9-6-18-7-10(9)13(20)19-11-4-2-3-5-12(11)21-8-14(15,16)17/h2-5,9-10,18H,6-8H2,1H3,(H,19,20)
InChIKeySPYBFCRHLXGEBJ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.42
Rot. Bonds4

About 4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide

4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63714279) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID63714279
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-9-6-18-7-10(9)13(20)19-11-4-2-3-5-12(11)21-8-14(15,16)17/h2-5,9-10,18H,6-8H2,1H3,(H,19,20)
InChIKeySPYBFCRHLXGEBJ-UHFFFAOYSA-N
XLogP2.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide (CID 63714279) is 4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide is CC1CNCC1C(=O)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is SPYBFCRHLXGEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-6-18-7-10(9)13(20)19-11-4-2-3-5-12(11)21-8-14(15,16)17/h2-5,9-10,18H,6-8H2,1H3,(H,19,20).
What are the key properties of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide?
4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63714279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).