N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide

C13H17F2NO3 — CID 104857352

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCC(F)(F)CO
InChIInChI=1S/C13H17F2NO3/c1-10(12(18)16-8-13(14,15)9-17)19-7-11-5-3-2-4-6-11/h2-6,10,17H,7-9H2,1H3,(H,16,18)
InChIKeyBDBKGPLMINIFGK-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.34
Rot. Bonds7

About N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide

N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide (PubChem CID 104857352) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide
PubChem CID104857352
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCC(F)(F)CO
InChIInChI=1S/C13H17F2NO3/c1-10(12(18)16-8-13(14,15)9-17)19-7-11-5-3-2-4-6-11/h2-6,10,17H,7-9H2,1H3,(H,16,18)
InChIKeyBDBKGPLMINIFGK-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide (CID 104857352) is N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide?
The InChIKey is BDBKGPLMINIFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-10(12(18)16-8-13(14,15)9-17)19-7-11-5-3-2-4-6-11/h2-6,10,17H,7-9H2,1H3,(H,16,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide has a molecular weight of 273.28 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-phenylmethoxypropanamide is sourced from PubChem (CID 104857352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).