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

C19H18F3NO — CID 134059236

IUPAC(E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccccc1CN(C)C(=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO/c1-14-5-3-4-6-16(14)13-23(2)18(24)12-9-15-7-10-17(11-8-15)19(20,21)22/h3-12H,13H2,1-2H3/b12-9+
InChIKeyPCIPNIQKBZENBB-FMIVXFBMSA-N
MW333.35 g/mol
LogP4.69
Rot. Bonds4

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

(E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 134059236) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is (E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID134059236
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name(E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccccc1CN(C)C(=O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO/c1-14-5-3-4-6-16(14)13-23(2)18(24)12-9-15-7-10-17(11-8-15)19(20,21)22/h3-12H,13H2,1-2H3/b12-9+
InChIKeyPCIPNIQKBZENBB-FMIVXFBMSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]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

N-methyl-N-[(2-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 102603359
(E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047167
(E)-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 35596876
(E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047465
N-methyl-4-[[methyl-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]methyl]benzamide
CID 8966054
(E)-N-methyl-N-[(2-methylphenyl)methyl]-3-(3-nitrophenyl)prop-2-enamide
CID 34941873
(E)-N-[[2-[(4-cyanophenyl)sulfonyl-(2-hydroxyethyl)amino]phenyl]methyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 155524169
(E)-N-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-hydroxyethyl)amino]phenyl]methyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 155552600
(E)-3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 26268813
(E)-N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26894403
(E)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26356752
(E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide
CID 38044413

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 134059236) is (E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is Cc1ccccc1CN(C)C(=O)/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is PCIPNIQKBZENBB-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-14-5-3-4-6-16(14)13-23(2)18(24)12-9-15-7-10-17(11-8-15)19(20,21)22/h3-12H,13H2,1-2H3/b12-9+.
What are the key properties of (E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 333.35 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 134059236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).