2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide

C26H24F3NO2 — CID 100784419

IUPAC2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide
SMILESC=CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C26H24F3NO2/c1-3-17-32-23-16-15-21(18-22(23)26(27,28)29)30-24(31)25(4-2,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h3,5-16,18H,1,4,17H2,2H3,(H,30,31)
InChIKeyYOMAVYHNBSNNQE-UHFFFAOYSA-N
MW439.48 g/mol
LogP6.61
Rot. Bonds8

About 2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide

2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide (PubChem CID 100784419) has the molecular formula C26H24F3NO2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide
PubChem CID100784419
Molecular FormulaC26H24F3NO2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide
SMILESC=CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C26H24F3NO2/c1-3-17-32-23-16-15-21(18-22(23)26(27,28)29)30-24(31)25(4-2,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h3,5-16,18H,1,4,17H2,2H3,(H,30,31)
InChIKeyYOMAVYHNBSNNQE-UHFFFAOYSA-N
XLogP6.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.48
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,3-triphenylpropanamide
CID 100784441
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylpropanamide
CID 100784401
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
3-methyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-1,5-dioxaspiro[5.5]undecane-3-carboxamide
CID 100784097
N-[[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63319634
2-hydroxy-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 23572084
(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766204
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
[(2S)-2-amino-2-methyl-3-oxo-3-[4-(4-phenylphenoxy)-3-(trifluoromethyl)anilino]propyl] dihydrogen phosphate
CID 58725033
N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide
CID 134043379
(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
CID 100761098

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide (CID 100784419) is 2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide is C=CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is YOMAVYHNBSNNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3NO2/c1-3-17-32-23-16-15-21(18-22(23)26(27,28)29)30-24(31)25(4-2,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h3,5-16,18H,1,4,17H2,2H3,(H,30,31).
What are the key properties of 2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide?
2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 439.48 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 100784419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).