3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide

C15H12F3NO2 — CID 75435338

IUPAC3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide
SMILESO=C(CC(F)(F)F)NCC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)8-14(21)19-9-13(20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,19,21)
InChIKeyHMBNDISZBIYGLR-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.09
Rot. Bonds4

About 3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide

3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide (PubChem CID 75435338) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide
PubChem CID75435338
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide
SMILESO=C(CC(F)(F)F)NCC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)8-14(21)19-9-13(20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,19,21)
InChIKeyHMBNDISZBIYGLR-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-1-yl-3-oxopropanoate
CID 22261669
2-(5-methyl-1H-pyrazol-3-yl)-N-(2-naphthalen-1-yl-2-oxoethyl)acetamide
CID 75435377
2-(cyclopropylamino)-1-naphthalen-1-ylethanone
CID 116555226
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] naphthalene-1-carboxylate
CID 2445194
2,2-dibromo-2-fluoro-1-naphthalen-1-ylethanone
CID 175439147
1-naphthalen-1-yl-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552683
dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium
CID 58905973
2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone
CID 91636167
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide
CID 95367365
3-[(3,3,3-trifluoropropanoylamino)methyl]benzoic acid
CID 60894410
N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
CID 104858075
1-anthracen-1-yl-4,4,4-trifluorobutane-1,3-dione
CID 87129349

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide (CID 75435338) is 3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide is O=C(CC(F)(F)F)NCC(=O)c1cccc2ccccc12.
What is the InChIKey of 3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide?
The InChIKey is HMBNDISZBIYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)8-14(21)19-9-13(20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,19,21).
What are the key properties of 3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide?
3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide has a molecular weight of 295.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-naphthalen-1-yl-2-oxoethyl)propanamide is sourced from PubChem (CID 75435338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).