N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide

C12H12F3NO3 — CID 82156351

IUPACN-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-3-19-10-5-4-8(7(2)17)6-9(10)16-11(18)12(13,14)15/h4-6H,3H2,1-2H3,(H,16,18)
InChIKeyKDEIMYAKMRMAAS-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.79
Rot. Bonds4

About N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide

N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 82156351) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID82156351
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC NameN-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccc(C(C)=O)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-3-19-10-5-4-8(7(2)17)6-9(10)16-11(18)12(13,14)15/h4-6H,3H2,1-2H3,(H,16,18)
InChIKeyKDEIMYAKMRMAAS-UHFFFAOYSA-N
XLogP2.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-acetyl-2-(2-methylpropoxy)phenyl]-2,2,2-trifluoroacetamide
CID 82156457
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]-2,2,2-trifluoroacetamide
CID 82258660
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
N-(3-cyano-4-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 100750476
methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate
CID 118626412
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
methyl 2-ethoxy-5-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 100750375
N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide
CID 82156316
3-N-(5-acetyl-2-ethoxyphenyl)-1-N-hydroxy-4-methylbenzene-1,3-dicarboxamide
CID 164620621
1-(5-acetyl-2-ethoxyphenyl)-3-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]urea
CID 74237674

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide (CID 82156351) is N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide is CCOc1ccc(C(C)=O)cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is KDEIMYAKMRMAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-3-19-10-5-4-8(7(2)17)6-9(10)16-11(18)12(13,14)15/h4-6H,3H2,1-2H3,(H,16,18).
What are the key properties of N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide?
N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 275.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 82156351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).