N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide

C13H12F6N2O3 — CID 2831257

IUPACN-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC(F)(F)C(F)C(F)(F)F)c(NC(C)=O)c1
InChIInChI=1S/C13H12F6N2O3/c1-6(22)20-8-3-4-10(9(5-8)21-7(2)23)24-13(18,19)11(14)12(15,16)17/h3-5,11H,1-2H3,(H,20,22)(H,21,23)
InChIKeyIZGPODODXIJRLL-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.48
Rot. Bonds5

About N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide

N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide (PubChem CID 2831257) has the molecular formula C13H12F6N2O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide
PubChem CID2831257
Molecular FormulaC13H12F6N2O3
Molecular Weight358.24 g/mol
Exact Mass358.08
IUPAC NameN-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC(F)(F)C(F)C(F)(F)F)c(NC(C)=O)c1
InChIInChI=1S/C13H12F6N2O3/c1-6(22)20-8-3-4-10(9(5-8)21-7(2)23)24-13(18,19)11(14)12(15,16)17/h3-5,11H,1-2H3,(H,20,22)(H,21,23)
InChIKeyIZGPODODXIJRLL-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide?
The IUPAC name of N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide (CID 2831257) is N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide is CC(=O)Nc1ccc(OC(F)(F)C(F)C(F)(F)F)c(NC(C)=O)c1.
What is the InChIKey of N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide?
The InChIKey is IZGPODODXIJRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F6N2O3/c1-6(22)20-8-3-4-10(9(5-8)21-7(2)23)24-13(18,19)11(14)12(15,16)17/h3-5,11H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide?
N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide has a molecular weight of 358.24 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide is sourced from PubChem (CID 2831257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).