N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide

C18H16F3NO2 — CID 16658264

IUPACN-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide
SMILESCC(C(=O)c1ccccc1)N(Cc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C18H16F3NO2/c1-13(16(23)15-10-6-3-7-11-15)22(17(24)18(19,20)21)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyQSMMTXSHEGGILI-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.85
Rot. Bonds5

About N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide

N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide (PubChem CID 16658264) has the molecular formula C18H16F3NO2 and a molecular weight of 335.32 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide
PubChem CID16658264
Molecular FormulaC18H16F3NO2
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC NameN-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide
SMILESCC(C(=O)c1ccccc1)N(Cc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C18H16F3NO2/c1-13(16(23)15-10-6-3-7-11-15)22(17(24)18(19,20)21)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyQSMMTXSHEGGILI-UHFFFAOYSA-N
XLogP3.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide (CID 16658264) is N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide is CC(C(=O)c1ccccc1)N(Cc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide?
The InChIKey is QSMMTXSHEGGILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-13(16(23)15-10-6-3-7-11-15)22(17(24)18(19,20)21)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3.
What are the key properties of N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide?
N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide has a molecular weight of 335.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 16658264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).