(3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide

C17H23F3N2O2 — CID 124588743

IUPAC(3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)[C@@H]2CCNC2)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-11-6-13(7-12(2)15(11)24-10-17(18,19)20)9-22(3)16(23)14-4-5-21-8-14/h6-7,14,21H,4-5,8-10H2,1-3H3/t14-/m1/s1
InChIKeyVHXGMHLSSORSJN-CQSZACIVSA-N
MW344.38 g/mol
LogP2.81
Rot. Bonds5

About (3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide

(3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 124588743) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is (3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID124588743
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name(3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCc1cc(CN(C)C(=O)[C@@H]2CCNC2)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-11-6-13(7-12(2)15(11)24-10-17(18,19)20)9-22(3)16(23)14-4-5-21-8-14/h6-7,14,21H,4-5,8-10H2,1-3H3/t14-/m1/s1
InChIKeyVHXGMHLSSORSJN-CQSZACIVSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide (CID 124588743) is (3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide is Cc1cc(CN(C)C(=O)[C@@H]2CCNC2)cc(C)c1OCC(F)(F)F.
What is the InChIKey of (3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is VHXGMHLSSORSJN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-11-6-13(7-12(2)15(11)24-10-17(18,19)20)9-22(3)16(23)14-4-5-21-8-14/h6-7,14,21H,4-5,8-10H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide?
(3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 124588743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).