N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide

C18H16F3NO2 — CID 76869273

IUPACN-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccccc2)c(OCC(F)(F)F)c1
InChIInChI=1S/C18H16F3NO2/c1-13-7-9-15(16(11-13)24-12-18(19,20)21)22-17(23)10-8-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeyXEXBMHTZURCIDE-UHFFFAOYSA-N
MW335.32 g/mol
LogP4.59
Rot. Bonds5

About N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide

N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide (PubChem CID 76869273) has the molecular formula C18H16F3NO2 and a molecular weight of 335.32 g/mol. Its IUPAC name is N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide
PubChem CID76869273
Molecular FormulaC18H16F3NO2
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC NameN-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccccc2)c(OCC(F)(F)F)c1
InChIInChI=1S/C18H16F3NO2/c1-13-7-9-15(16(11-13)24-12-18(19,20)21)22-17(23)10-8-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeyXEXBMHTZURCIDE-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-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-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 60575425
(E)-3-(5-bromothiophen-2-yl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 60575097
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 60575311
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844
(E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 55989935
4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575123
3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120609694
(E)-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 884427
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 884426

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide (CID 76869273) is N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide is Cc1ccc(NC(=O)C=Cc2ccccc2)c(OCC(F)(F)F)c1.
What is the InChIKey of N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide?
The InChIKey is XEXBMHTZURCIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-13-7-9-15(16(11-13)24-12-18(19,20)21)22-17(23)10-8-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide?
N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide has a molecular weight of 335.32 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 76869273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).