N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide

C14H18F3NO2 — CID 154608807

IUPACN-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCCc1ccc(NC(=O)C(F)(F)F)c(CCC(C)O)c1
InChIInChI=1S/C14H18F3NO2/c1-3-10-5-7-12(18-13(20)14(15,16)17)11(8-10)6-4-9(2)19/h5,7-9,19H,3-4,6H2,1-2H3,(H,18,20)
InChIKeyGRWORCVSEJTXCA-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.06
Rot. Bonds5

About N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide

N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 154608807) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID154608807
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCCc1ccc(NC(=O)C(F)(F)F)c(CCC(C)O)c1
InChIInChI=1S/C14H18F3NO2/c1-3-10-5-7-12(18-13(20)14(15,16)17)11(8-10)6-4-9(2)19/h5,7-9,19H,3-4,6H2,1-2H3,(H,18,20)
InChIKeyGRWORCVSEJTXCA-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-4-[5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]phenyl]butan-2-yl] methanesulfonate
CID 154608833
N-[4-ethyl-2-(3-hydroxybut-1-ynyl)phenyl]-2,2,2-trifluoroacetamide
CID 154608853
N,N'-bis(2,4-diethylphenyl)propanediamide
CID 19008540
2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide
CID 88881817
N-[4-(2-chloroethyl)-2-ethoxyphenyl]-2,2,2-trifluoroacetamide
CID 82260559
2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide
CID 24795536
1-(2,4-diethylphenyl)-3-propylurea
CID 23348909
2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide
CID 15953168
N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 5203478
1-[4-(3-hydroxybutyl)phenyl]propan-2-one
CID 117114950
methyl (2S)-2-amino-3-[3-bromo-4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanoate
CID 11523545
N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide
CID 142031001

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide (CID 154608807) is N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide is CCc1ccc(NC(=O)C(F)(F)F)c(CCC(C)O)c1.
What is the InChIKey of N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is GRWORCVSEJTXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-3-10-5-7-12(18-13(20)14(15,16)17)11(8-10)6-4-9(2)19/h5,7-9,19H,3-4,6H2,1-2H3,(H,18,20).
What are the key properties of N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 289.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-2-(3-hydroxybutyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 154608807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).