(Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide

C20H19F3N2O3 — CID 34501494

IUPAC(Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-14(26)25-18(11-15-5-3-2-4-6-15)19(27)24-12-16-7-9-17(10-8-16)28-13-20(21,22)23/h2-11H,12-13H2,1H3,(H,24,27)(H,25,26)/b18-11-
InChIKeyVVYFGLCUPNAFAN-WQRHYEAKSA-N
MW392.38 g/mol
LogP3.42
Rot. Bonds7

About (Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide

(Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide (PubChem CID 34501494) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is (Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide
PubChem CID34501494
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name(Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-14(26)25-18(11-15-5-3-2-4-6-15)19(27)24-12-16-7-9-17(10-8-16)28-13-20(21,22)23/h2-11H,12-13H2,1H3,(H,24,27)(H,25,26)/b18-11-
InChIKeyVVYFGLCUPNAFAN-WQRHYEAKSA-N
XLogP3.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 8942207
(Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
CID 46762320
(Z)-2-acetamido-3-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8545344
(E)-2-acetamido-N-[(4-methoxyphenyl)methyl]-3-naphthalen-1-ylprop-2-enamide
CID 101112904
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610443
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284870
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 8767931
2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293453
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide (CID 34501494) is (Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide is CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of (Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide?
The InChIKey is VVYFGLCUPNAFAN-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-14(26)25-18(11-15-5-3-2-4-6-15)19(27)24-12-16-7-9-17(10-8-16)28-13-20(21,22)23/h2-11H,12-13H2,1H3,(H,24,27)(H,25,26)/b18-11-.
What are the key properties of (Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide?
(Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide has a molecular weight of 392.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-phenyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 34501494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).