N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide

C15H18F3NO2 — CID 165362012

IUPACN-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide
SMILESCCCC(C(=O)c1ccccc1)N(CC)C(=O)C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-3-8-12(13(20)11-9-6-5-7-10-11)19(4-2)14(21)15(16,17)18/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKeyVEPKBNDRHULGNT-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.45
Rot. Bonds6

About N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide

N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide (PubChem CID 165362012) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide
PubChem CID165362012
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide
SMILESCCCC(C(=O)c1ccccc1)N(CC)C(=O)C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-3-8-12(13(20)11-9-6-5-7-10-11)19(4-2)14(21)15(16,17)18/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKeyVEPKBNDRHULGNT-UHFFFAOYSA-N
XLogP3.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide (CID 165362012) is N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide is CCCC(C(=O)c1ccccc1)N(CC)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide?
The InChIKey is VEPKBNDRHULGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-3-8-12(13(20)11-9-6-5-7-10-11)19(4-2)14(21)15(16,17)18/h5-7,9-10,12H,3-4,8H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide?
N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide has a molecular weight of 301.31 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpentan-2-yl)acetamide is sourced from PubChem (CID 165362012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).