2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide

C13H14F3NO2 — CID 57296109

IUPAC2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide
SMILESCCC(=O)c1ccc(CCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO2/c1-2-11(18)10-5-3-9(4-6-10)7-8-17-12(19)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,19)
InChIKeyNLRZNMBIKNPKJY-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.50
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide (PubChem CID 57296109) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide
PubChem CID57296109
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide
SMILESCCC(=O)c1ccc(CCNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO2/c1-2-11(18)10-5-3-9(4-6-10)7-8-17-12(19)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,19)
InChIKeyNLRZNMBIKNPKJY-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
CID 134887749
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239
1-[4-(aminomethyl)phenyl]propan-1-one;2,2,2-trifluoroacetic acid
CID 66921022
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
CID 19963458
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide
CID 24511404
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
[2-hydroxy-5-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]sulfonylphenyl] propanoate
CID 91089960

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide (CID 57296109) is 2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide is CCC(=O)c1ccc(CCNC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide?
The InChIKey is NLRZNMBIKNPKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-2-11(18)10-5-3-9(4-6-10)7-8-17-12(19)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide has a molecular weight of 273.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-propanoylphenyl)ethyl]acetamide is sourced from PubChem (CID 57296109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).