2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide

C17H12F3NO2 — CID 163752454

IUPAC2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide
SMILESO=C(/C=C/c1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)16(23)21-14-9-7-13(8-10-14)15(22)11-6-12-4-2-1-3-5-12/h1-11H,(H,21,23)/b11-6+
InChIKeyLRDZELVIYCPUGH-IZZDOVSWSA-N
MW319.28 g/mol
LogP4.08
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide (PubChem CID 163752454) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide
PubChem CID163752454
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide
SMILESO=C(/C=C/c1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)16(23)21-14-9-7-13(8-10-14)15(22)11-6-12-4-2-1-3-5-12/h1-11H,(H,21,23)/b11-6+
InChIKeyLRDZELVIYCPUGH-IZZDOVSWSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
N-[3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2,2,2-trifluoroacetamide
CID 46677978
(Z)-4-oxo-4-[4-[(E)-3-phenylprop-2-enoyl]anilino]but-2-enoic acid
CID 11099271
1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
CID 11176351
2,2,2-trifluoro-N-[3-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 46677879
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
2,2,2-trifluoro-N-[3-[(Z)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 97433492
2,2,2-trifluoro-N-[3-[(E)-3-[4-(2-methoxyethoxy)phenyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 47046301
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
CID 6156309
3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
CID 57300906

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide (CID 163752454) is 2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide is O=C(/C=C/c1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide?
The InChIKey is LRDZELVIYCPUGH-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H12F3NO2/c18-17(19,20)16(23)21-14-9-7-13(8-10-14)15(22)11-6-12-4-2-1-3-5-12/h1-11H,(H,21,23)/b11-6+.
What are the key properties of 2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide has a molecular weight of 319.28 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 163752454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).