N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

C13H15F3N2O3 — CID 106911948

IUPACN-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cccc(C2OCCO2)c1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)8-17-7-11(19)18-10-3-1-2-9(6-10)12-20-4-5-21-12/h1-3,6,12,17H,4-5,7-8H2,(H,18,19)
InChIKeyICZOBXZPORUIOW-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.82
Rot. Bonds5

About N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 106911948) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID106911948
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cccc(C2OCCO2)c1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)8-17-7-11(19)18-10-3-1-2-9(6-10)12-20-4-5-21-12/h1-3,6,12,17H,4-5,7-8H2,(H,18,19)
InChIKeyICZOBXZPORUIOW-UHFFFAOYSA-N
XLogP1.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 106911948) is N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1cccc(C2OCCO2)c1.
What is the InChIKey of N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ICZOBXZPORUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)8-17-7-11(19)18-10-3-1-2-9(6-10)12-20-4-5-21-12/h1-3,6,12,17H,4-5,7-8H2,(H,18,19).
What are the key properties of N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 304.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 106911948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).