2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide

C13H17F3N2O3 — CID 60997735

IUPAC2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCOc1ccc(C(C)(NCC(F)(F)F)C(N)=O)c(OC)c1
InChIInChI=1S/C13H17F3N2O3/c1-12(11(17)19,18-7-13(14,15)16)9-5-4-8(20-2)6-10(9)21-3/h4-6,18H,7H2,1-3H3,(H2,17,19)
InChIKeyZYXSEDOTYSLHIZ-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.56
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide

2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 60997735) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID60997735
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCOc1ccc(C(C)(NCC(F)(F)F)C(N)=O)c(OC)c1
InChIInChI=1S/C13H17F3N2O3/c1-12(11(17)19,18-7-13(14,15)16)9-5-4-8(20-2)6-10(9)21-3/h4-6,18H,7H2,1-3H3,(H2,17,19)
InChIKeyZYXSEDOTYSLHIZ-UHFFFAOYSA-N
XLogP1.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide (CID 60997735) is 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide is COc1ccc(C(C)(NCC(F)(F)F)C(N)=O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is ZYXSEDOTYSLHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-12(11(17)19,18-7-13(14,15)16)9-5-4-8(20-2)6-10(9)21-3/h4-6,18H,7H2,1-3H3,(H2,17,19).
What are the key properties of 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide?
2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 306.28 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 60997735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).