3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide

C15H9F4NO — CID 4543242

IUPAC3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9F4NO/c16-10-4-1-9(2-5-10)3-8-13(21)20-12-7-6-11(17)14(18)15(12)19/h1-8H,(H,20,21)
InChIKeyNFDYMWIQVLLWHZ-UHFFFAOYSA-N
MW295.24 g/mol
LogP3.89
Rot. Bonds3

About 3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide

3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide (PubChem CID 4543242) has the molecular formula C15H9F4NO and a molecular weight of 295.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
PubChem CID4543242
Molecular FormulaC15H9F4NO
Molecular Weight295.24 g/mol
Exact Mass295.06
IUPAC Name3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9F4NO/c16-10-4-1-9(2-5-10)3-8-13(21)20-12-7-6-11(17)14(18)15(12)19/h1-8H,(H,20,21)
InChIKeyNFDYMWIQVLLWHZ-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)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

3-(4-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]prop-2-enamide
CID 4845144
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 7769944
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 2521630
(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 81271763
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
(E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 26358362
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 6289668
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide (CID 4543242) is 3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The InChIKey is NFDYMWIQVLLWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO/c16-10-4-1-9(2-5-10)3-8-13(21)20-12-7-6-11(17)14(18)15(12)19/h1-8H,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide has a molecular weight of 295.24 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is sourced from PubChem (CID 4543242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).