N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide

C12H14F3NO3 — CID 144950554

IUPACN-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide
SMILESCC(=O)NC(CCO)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-8(18)16-11(6-7-17)9-2-4-10(5-3-9)19-12(13,14)15/h2-5,11,17H,6-7H2,1H3,(H,16,18)
InChIKeyBGYMLIUEFKAISJ-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.14
Rot. Bonds5

About N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide

N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide (PubChem CID 144950554) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide
PubChem CID144950554
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide
SMILESCC(=O)NC(CCO)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-8(18)16-11(6-7-17)9-2-4-10(5-3-9)19-12(13,14)15/h2-5,11,17H,6-7H2,1H3,(H,16,18)
InChIKeyBGYMLIUEFKAISJ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 63703455
methyl 3-(4-aminopentanoylamino)-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 120560793
3-(propylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 65235458
3-(2,3-dimethylbutanoylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 119189878
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61047319
N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 103799562
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
N-[1-(4-chlorophenyl)-4-hydroxybutyl]acetamide
CID 143788152
[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
CID 105319572

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide?
The IUPAC name of N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide (CID 144950554) is N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide.
What is the SMILES notation for N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide?
The canonical SMILES for N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide is CC(=O)NC(CCO)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide?
The InChIKey is BGYMLIUEFKAISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-8(18)16-11(6-7-17)9-2-4-10(5-3-9)19-12(13,14)15/h2-5,11,17H,6-7H2,1H3,(H,16,18).
What are the key properties of N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide?
N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide has a molecular weight of 277.24 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide is sourced from PubChem (CID 144950554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).