(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide

C13H17F3N2O — CID 39912363

IUPAC(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cc(C)cc(N[C@H](C)C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-8-4-9(2)6-11(5-8)18-10(3)12(19)17-7-13(14,15)16/h4-6,10,18H,7H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyXZJKVIXEUCHAPU-SNVBAGLBSA-N
MW274.29 g/mol
LogP2.78
Rot. Bonds4

About (2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 39912363) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID39912363
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cc(C)cc(N[C@H](C)C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-8-4-9(2)6-11(5-8)18-10(3)12(19)17-7-13(14,15)16/h4-6,10,18H,7H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyXZJKVIXEUCHAPU-SNVBAGLBSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide (CID 39912363) is (2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide is Cc1cc(C)cc(N[C@H](C)C(=O)NCC(F)(F)F)c1.
What is the InChIKey of (2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XZJKVIXEUCHAPU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-8-4-9(2)6-11(5-8)18-10(3)12(19)17-7-13(14,15)16/h4-6,10,18H,7H2,1-3H3,(H,17,19)/t10-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 274.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 39912363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).