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

C18H15F4NO — CID 134047167

IUPAC(E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C18H15F4NO/c1-23(12-14-4-2-3-5-16(14)18(20,21)22)17(24)11-8-13-6-9-15(19)10-7-13/h2-11H,12H2,1H3/b11-8+
InChIKeyVIBKVROCQCFHRL-DHZHZOJOSA-N
MW337.32 g/mol
LogP4.52
Rot. Bonds4

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

(E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide (PubChem CID 134047167) has the molecular formula C18H15F4NO and a molecular weight of 337.32 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
PubChem CID134047167
Molecular FormulaC18H15F4NO
Molecular Weight337.32 g/mol
Exact Mass337.11
IUPAC Name(E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C18H15F4NO/c1-23(12-14-4-2-3-5-16(14)18(20,21)22)17(24)11-8-13-6-9-15(19)10-7-13/h2-11H,12H2,1H3/b11-8+
InChIKeyVIBKVROCQCFHRL-DHZHZOJOSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047465
(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
(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 115342919
4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 66679315
(E)-3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 26268813
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
CID 38273268
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]-methylamino]-2-methylpropanoic acid
CID 55008527
(E)-3-(4-fluorophenyl)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-enamide
CID 99996592

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide (CID 134047167) is (E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide is CN(Cc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is VIBKVROCQCFHRL-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H15F4NO/c1-23(12-14-4-2-3-5-16(14)18(20,21)22)17(24)11-8-13-6-9-15(19)10-7-13/h2-11H,12H2,1H3/b11-8+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 337.32 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 134047167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).