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

C13H17F2NO3 — CID 103770190

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-2-9-3-5-10(6-4-9)19-8-12(18)16-7-11(17)13(14)15/h3-6,11,13,17H,2,7-8H2,1H3,(H,16,18)
InChIKeyNFLJTPVLPXWOJU-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.37
Rot. Bonds7

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

N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide (PubChem CID 103770190) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
PubChem CID103770190
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-2-9-3-5-10(6-4-9)19-8-12(18)16-7-11(17)13(14)15/h3-6,11,13,17H,2,7-8H2,1H3,(H,16,18)
InChIKeyNFLJTPVLPXWOJU-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

2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258574
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
CID 103770426
N-(3-amino-2-methylpropyl)-2-(4-ethylphenoxy)acetamide
CID 119996402
2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566092
3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065749
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 104857091
N-[2-(diethylamino)-2-phenylethyl]-2-(4-ethylphenoxy)acetamide
CID 45155375
2-(4-ethylphenoxy)-N-methoxyacetamide
CID 60716979
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethylphenoxy)acetamide
CID 26819096
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 7994493

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide (CID 103770190) is N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)NCC(O)C(F)F)cc1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is NFLJTPVLPXWOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-2-9-3-5-10(6-4-9)19-8-12(18)16-7-11(17)13(14)15/h3-6,11,13,17H,2,7-8H2,1H3,(H,16,18).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)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-(3,3-difluoro-2-hydroxypropyl)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 103770190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).