N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide

C16H16F3N3O2 — CID 29057100

IUPACN-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
SMILESC=CCN1C(=O)[C@](NC(=O)CC)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C16H16F3N3O2/c1-3-10-22-13(11-8-6-5-7-9-11)21-15(14(22)24,16(17,18)19)20-12(23)4-2/h3,5-9H,1,4,10H2,2H3,(H,20,23)/t15-/m1/s1
InChIKeyUZENRILKORNWJA-OAHLLOKOSA-N
MW339.32 g/mol
LogP2.25
Rot. Bonds5

About N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide

N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide (PubChem CID 29057100) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
PubChem CID29057100
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
SMILESC=CCN1C(=O)[C@](NC(=O)CC)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C16H16F3N3O2/c1-3-10-22-13(11-8-6-5-7-9-11)21-15(14(22)24,16(17,18)19)20-12(23)4-2/h3,5-9H,1,4,10H2,2H3,(H,20,23)/t15-/m1/s1
InChIKeyUZENRILKORNWJA-OAHLLOKOSA-N
XLogP2.25
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The IUPAC name of N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide (CID 29057100) is N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide.
What is the SMILES notation for N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The canonical SMILES for N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide is C=CCN1C(=O)[C@](NC(=O)CC)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
The InChIKey is UZENRILKORNWJA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-3-10-22-13(11-8-6-5-7-9-11)21-15(14(22)24,16(17,18)19)20-12(23)4-2/h3,5-9H,1,4,10H2,2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide?
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide has a molecular weight of 339.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]propanamide is sourced from PubChem (CID 29057100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).