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

C18H15F4NO2 — CID 60575425

IUPAC(E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c(OCC(F)(F)F)c1
InChIInChI=1S/C18H15F4NO2/c1-12-2-8-15(16(10-12)25-11-18(20,21)22)23-17(24)9-5-13-3-6-14(19)7-4-13/h2-10H,11H2,1H3,(H,23,24)/b9-5+
InChIKeyLNXQXZXAGUSYIM-WEVVVXLNSA-N
MW353.32 g/mol
LogP4.73
Rot. Bonds5

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

(E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide (PubChem CID 60575425) has the molecular formula C18H15F4NO2 and a molecular weight of 353.32 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
PubChem CID60575425
Molecular FormulaC18H15F4NO2
Molecular Weight353.32 g/mol
Exact Mass353.10
IUPAC Name(E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c(OCC(F)(F)F)c1
InChIInChI=1S/C18H15F4NO2/c1-12-2-8-15(16(10-12)25-11-18(20,21)22)23-17(24)9-5-13-3-6-14(19)7-4-13/h2-10H,11H2,1H3,(H,23,24)/b9-5+
InChIKeyLNXQXZXAGUSYIM-WEVVVXLNSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)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

2',2''-Dimethoxy-4',4''-biacetanilide
CID 54986
2-Ethoxy-2'-ethyloxanilide
CID 90303
N-(4-methylphenyl)-2-phenoxyacetamide
CID 689977
N1-(4-Dodecylphenyl)-N2-(2-ethoxyphenyl)ethanediamide
CID 20647578
N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide
CID 24848458
N-(4-Isopropyl-phenyl)-2-phenoxy-acetamide
CID 690069
2-(3,4-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 723386
N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide
CID 808409
N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1257518
N-[2-methoxy-4-[3-methoxy-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4190526
N-(2-Methoxyphenyl)Cinnamamide
CID 732134
(E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 749814

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide (CID 60575425) is (E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)c(OCC(F)(F)F)c1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide?
The InChIKey is LNXQXZXAGUSYIM-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H15F4NO2/c1-12-2-8-15(16(10-12)25-11-18(20,21)22)23-17(24)9-5-13-3-6-14(19)7-4-13/h2-10H,11H2,1H3,(H,23,24)/b9-5+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide has a molecular weight of 353.32 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 60575425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).