2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C12H14F3NO3 — CID 103726206

IUPAC2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-8-2-4-9(5-3-8)19-7-11(18)16-6-10(17)12(13,14)15/h2-5,10,17H,6-7H2,1H3,(H,16,18)
InChIKeyXSJNJIZFDDZBAW-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.41
Rot. Bonds5

About 2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726206) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726206
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-8-2-4-9(5-3-8)19-7-11(18)16-6-10(17)12(13,14)15/h2-5,10,17H,6-7H2,1H3,(H,16,18)
InChIKeyXSJNJIZFDDZBAW-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
2-(2-chloro-5-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726337
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide
CID 90498772
3-[[[2-(4-methylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065403
3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
CID 103152460
N-[(3S)-3-hydroxy-4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]butyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 138632795
3-(2,4-dimethylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730620
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
CID 103770426
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726206) is 2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is Cc1ccc(OCC(=O)NCC(O)C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is XSJNJIZFDDZBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-8-2-4-9(5-3-8)19-7-11(18)16-6-10(17)12(13,14)15/h2-5,10,17H,6-7H2,1H3,(H,16,18).
What are the key properties of 2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 277.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).