2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide

C18H16F3NO3 — CID 160603297

IUPAC2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESO=C(CCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H16F3NO3/c19-18(20,21)25-15-8-4-7-14(11-15)12-22-17(24)16(23)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,24)
InChIKeyXROXUVDZASCCLK-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.40
Rot. Bonds7

About 2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide

2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide (PubChem CID 160603297) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide
PubChem CID160603297
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Name2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide
SMILESO=C(CCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H16F3NO3/c19-18(20,21)25-15-8-4-7-14(11-15)12-22-17(24)16(23)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,24)
InChIKeyXROXUVDZASCCLK-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 150145529
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CID 71250825
3-[3-(trifluoromethoxy)phenyl]propanoyl chloride
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1-(3-fluorobut-3-enyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
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N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
cis-(1S,2R)-2-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 51412984
3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 6736716
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
1-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)but-3-enyl]urea
CID 169150598
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CID 3818160
1-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 64503594

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide?
The IUPAC name of 2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide (CID 160603297) is 2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide is O=C(CCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide?
The InChIKey is XROXUVDZASCCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3/c19-18(20,21)25-15-8-4-7-14(11-15)12-22-17(24)16(23)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,24).
What are the key properties of 2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide?
2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide has a molecular weight of 351.32 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 160603297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).