2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide

C19H16F3NO3 — CID 101474520

IUPAC2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide
SMILESCC(=O)/C(OCc1ccccc1)=C(\NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H16F3NO3/c1-13(24)17(26-12-14-8-4-2-5-9-14)16(15-10-6-3-7-11-15)23-18(25)19(20,21)22/h2-11H,12H2,1H3,(H,23,25)/b17-16+
InChIKeyFXSBSPMJWGPYMK-WUKNDPDISA-N
MW363.34 g/mol
LogP3.84
Rot. Bonds6

About 2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide

2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide (PubChem CID 101474520) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide
PubChem CID101474520
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide
SMILESCC(=O)/C(OCc1ccccc1)=C(\NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H16F3NO3/c1-13(24)17(26-12-14-8-4-2-5-9-14)16(15-10-6-3-7-11-15)23-18(25)19(20,21)22/h2-11H,12H2,1H3,(H,23,25)/b17-16+
InChIKeyFXSBSPMJWGPYMK-WUKNDPDISA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(benzyloxy)-2-methyl-4(1H)-pyridinone
CID 660782
1-[4-(Benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162666832
AChE/BChE-IN-8
CID 162671445
3-(benzyloxy)-1-(4-fluorobenzyl)-2-methyl-4(1H)-pyridinone
CID 3623031
4-[(2,4-Difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 122178642
1-[5-(Benzylamino)pentyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162669599
N-(4-fluorobenzyl)-2-(5-((4-fluorobenzyl)oxy)-2-methyl-4-oxopyridin-1(4H)-yl)acetamide
CID 16852857
5-(benzyloxy)-N-(4-fluorobenzyl)-4-oxo-4H-pyran-2-carboxamide
CID 42226910
N-benzyl-5-((4-fluorobenzyl)oxy)-4-oxo-4H-pyran-2-carboxamide
CID 42227191
N-(4-fluorobenzyl)-5-((4-fluorobenzyl)oxy)-4-oxo-4H-pyran-2-carboxamide
CID 42227193
N-(4-fluorobenzyl)-5-((4-fluorobenzyl)oxy)-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 42441098
5-(benzyloxy)-N-(4-fluorobenzyl)-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 42442302

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide (CID 101474520) is 2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide is CC(=O)/C(OCc1ccccc1)=C(\NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide?
The InChIKey is FXSBSPMJWGPYMK-WUKNDPDISA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-13(24)17(26-12-14-8-4-2-5-9-14)16(15-10-6-3-7-11-15)23-18(25)19(20,21)22/h2-11H,12H2,1H3,(H,23,25)/b17-16+.
What are the key properties of 2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide?
2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide has a molecular weight of 363.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(E)-3-oxo-1-phenyl-2-phenylmethoxybut-1-enyl]acetamide is sourced from PubChem (CID 101474520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).