(2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C17H24F3N3O — CID 129424954

IUPAC(2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](C(=O)NCC(F)(F)F)N1CCC[C@H]1c1cccc(N(C)C)c1
InChIInChI=1S/C17H24F3N3O/c1-12(16(24)21-11-17(18,19)20)23-9-5-8-15(23)13-6-4-7-14(10-13)22(2)3/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3,(H,21,24)/t12-,15+/m1/s1
InChIKeyXXXYRKXRNONTEG-DOMZBBRYSA-N
MW343.39 g/mol
LogP2.96
Rot. Bonds5

About (2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 129424954) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID129424954
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name(2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](C(=O)NCC(F)(F)F)N1CCC[C@H]1c1cccc(N(C)C)c1
InChIInChI=1S/C17H24F3N3O/c1-12(16(24)21-11-17(18,19)20)23-9-5-8-15(23)13-6-4-7-14(10-13)22(2)3/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3,(H,21,24)/t12-,15+/m1/s1
InChIKeyXXXYRKXRNONTEG-DOMZBBRYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 129424954) is (2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](C(=O)NCC(F)(F)F)N1CCC[C@H]1c1cccc(N(C)C)c1.
What is the InChIKey of (2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XXXYRKXRNONTEG-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-12(16(24)21-11-17(18,19)20)23-9-5-8-15(23)13-6-4-7-14(10-13)22(2)3/h4,6-7,10,12,15H,5,8-9,11H2,1-3H3,(H,21,24)/t12-,15+/m1/s1.
What are the key properties of (2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 343.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 129424954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).