N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide

C18H16F3NO — CID 134875230

IUPACN-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide
SMILESC=CC(c1ccccc1)C(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H16F3NO/c1-2-15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)22-17(23)18(19,20)21/h2-12,15-16H,1H2,(H,22,23)
InChIKeyUPYLEEVHZDORSD-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.38
Rot. Bonds5

About N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide

N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide (PubChem CID 134875230) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide
PubChem CID134875230
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide
SMILESC=CC(c1ccccc1)C(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H16F3NO/c1-2-15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)22-17(23)18(19,20)21/h2-12,15-16H,1H2,(H,22,23)
InChIKeyUPYLEEVHZDORSD-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Remacemide Hydrochloride
CID 60510
Remacemide
CID 60511
SA-58035
CID 122215
N-Phenethyl-3-phenyl-acrylamide
CID 795855
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10127183
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
N-benzyl-2-cyclohexylacetamide
CID 880904

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide (CID 134875230) is N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide is C=CC(c1ccccc1)C(NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide?
The InChIKey is UPYLEEVHZDORSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-2-15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)22-17(23)18(19,20)21/h2-12,15-16H,1H2,(H,22,23).
What are the key properties of N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide?
N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide has a molecular weight of 319.33 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylbut-3-enyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 134875230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).