(E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide

C18H17F3N2O3 — CID 26730638

IUPAC(E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/c1ccco1
InChIInChI=1S/C18H17F3N2O3/c1-2-9-23(16(25)8-5-12-4-3-10-26-12)11-15(24)22-14-7-6-13(19)17(20)18(14)21/h3-8,10H,2,9,11H2,1H3,(H,22,24)/b8-5+
InChIKeyMICXJPTZBWBJSC-VMPITWQZSA-N
MW366.34 g/mol
LogP3.59
Rot. Bonds7

About (E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide

(E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide (PubChem CID 26730638) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide
PubChem CID26730638
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name(E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/c1ccco1
InChIInChI=1S/C18H17F3N2O3/c1-2-9-23(16(25)8-5-12-4-3-10-26-12)11-15(24)22-14-7-6-13(19)17(20)18(14)21/h3-8,10H,2,9,11H2,1H3,(H,22,24)/b8-5+
InChIKeyMICXJPTZBWBJSC-VMPITWQZSA-N
XLogP3.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 74268753
N-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]prop-1-enyl]benzamide
CID 46558352
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
CID 8960409
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 46554976
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
(E)-N-ethyl-3-(furan-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 18155626
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447
3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 26730475
2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride
CID 119682430

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide (CID 26730638) is (E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide?
The InChIKey is MICXJPTZBWBJSC-VMPITWQZSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-2-9-23(16(25)8-5-12-4-3-10-26-12)11-15(24)22-14-7-6-13(19)17(20)18(14)21/h3-8,10H,2,9,11H2,1H3,(H,22,24)/b8-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide has a molecular weight of 366.34 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide is sourced from PubChem (CID 26730638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).