3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide

C13H17F2NO3 — CID 110886635

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
SMILESCC(O)CNC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-9(17)8-16-12(18)7-4-10-2-5-11(6-3-10)19-13(14)15/h2-3,5-6,9,13,17H,4,7-8H2,1H3,(H,16,18)
InChIKeyALYYOTCDJOVKMA-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.72
Rot. Bonds7

About 3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide

3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide (PubChem CID 110886635) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
PubChem CID110886635
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
SMILESCC(O)CNC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-9(17)8-16-12(18)7-4-10-2-5-11(6-3-10)19-13(14)15/h2-3,5-6,9,13,17H,4,7-8H2,1H3,(H,16,18)
InChIKeyALYYOTCDJOVKMA-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
N-(3-amino-2-methylpropyl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119998237
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 78848142
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770980
3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
CID 146154209
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide (CID 110886635) is 3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide is CC(O)CNC(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide?
The InChIKey is ALYYOTCDJOVKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-9(17)8-16-12(18)7-4-10-2-5-11(6-3-10)19-13(14)15/h2-3,5-6,9,13,17H,4,7-8H2,1H3,(H,16,18).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide?
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide has a molecular weight of 273.28 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide is sourced from PubChem (CID 110886635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).