(E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide

C20H19F3N2O2 — CID 134047465

IUPAC(E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2/c1-14(26)24-17-10-7-15(8-11-17)9-12-19(27)25(2)13-16-5-3-4-6-18(16)20(21,22)23/h3-12H,13H2,1-2H3,(H,24,26)/b12-9+
InChIKeyQMUCYVIIZYWCGU-FMIVXFBMSA-N
MW376.38 g/mol
LogP4.34
Rot. Bonds5

About (E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide (PubChem CID 134047465) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
PubChem CID134047465
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name(E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2/c1-14(26)24-17-10-7-15(8-11-17)9-12-19(27)25(2)13-16-5-3-4-6-18(16)20(21,22)23/h3-12H,13H2,1-2H3,(H,24,26)/b12-9+
InChIKeyQMUCYVIIZYWCGU-FMIVXFBMSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.34
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

(E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047167
(E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide
CID 38044413
(E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 134059236
(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047226
(E)-3-(1,3-benzothiazol-2-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047382
N-methyl-N-[(2-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 102603359
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351
(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
CID 35687554
(E)-3-(4-acetamidophenyl)-N-benzyl-N-(2-methoxyethyl)prop-2-enamide
CID 46554937
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
1-methyl-3-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 112829816
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide (CID 134047465) is (E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide is CC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is QMUCYVIIZYWCGU-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-14(26)24-17-10-7-15(8-11-17)9-12-19(27)25(2)13-16-5-3-4-6-18(16)20(21,22)23/h3-12H,13H2,1-2H3,(H,24,26)/b12-9+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 376.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 134047465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).