N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide

C13H17F2NO3 — CID 104857620

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCC(F)(F)CO)cc1
InChIInChI=1S/C13H17F2NO3/c1-2-19-11-5-3-10(4-6-11)7-12(18)16-8-13(14,15)9-17/h3-6,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyUYVZDRSPPHXDLN-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.37
Rot. Bonds7

About N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide (PubChem CID 104857620) 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-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide
PubChem CID104857620
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCC(F)(F)CO)cc1
InChIInChI=1S/C13H17F2NO3/c1-2-19-11-5-3-10(4-6-11)7-12(18)16-8-13(14,15)9-17/h3-6,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyUYVZDRSPPHXDLN-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 104857091
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114746
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 90522997
2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methylphenoxy)butanamide
CID 104857867
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108884584
N-(2,2-difluoro-3-hydroxypropyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 104858213
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166561
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide (CID 104857620) is N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCC(F)(F)CO)cc1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide?
The InChIKey is UYVZDRSPPHXDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-2-19-11-5-3-10(4-6-11)7-12(18)16-8-13(14,15)9-17/h3-6,17H,2,7-9H2,1H3,(H,16,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethoxyphenyl)acetamide has a molecular weight of 273.28 g/mol, XLogP of 1.37, 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-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 104857620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).