(E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide

C19H19F3N2O3 — CID 26356579

IUPAC(E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C19H19F3N2O3/c1-3-24(18(26)11-10-14-9-8-13(2)27-14)12-17(25)23-16-7-5-4-6-15(16)19(20,21)22/h4-11H,3,12H2,1-2H3,(H,23,25)/b11-10+
InChIKeySTKVBXMIOAVRCE-ZHACJKMWSA-N
MW380.37 g/mol
LogP4.11
Rot. Bonds6

About (E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide

(E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide (PubChem CID 26356579) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is (E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
PubChem CID26356579
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name(E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C19H19F3N2O3/c1-3-24(18(26)11-10-14-9-8-13(2)27-14)12-17(25)23-16-7-5-4-6-15(16)19(20,21)22/h4-11H,3,12H2,1-2H3,(H,23,25)/b11-10+
InChIKeySTKVBXMIOAVRCE-ZHACJKMWSA-N
XLogP4.11
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26356752
(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 897086
(E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
CID 26356583
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 25163178
3-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
CID 55876212
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-3,5-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,2-oxazole-4-carboxamide
CID 26356736
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974404
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 9095217
N-ethyl-4-(methylamino)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 119682068
N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide (CID 26356579) is (E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(C)o1.
What is the InChIKey of (E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide?
The InChIKey is STKVBXMIOAVRCE-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-3-24(18(26)11-10-14-9-8-13(2)27-14)12-17(25)23-16-7-5-4-6-15(16)19(20,21)22/h4-11H,3,12H2,1-2H3,(H,23,25)/b11-10+.
What are the key properties of (E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide?
(E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide has a molecular weight of 380.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide is sourced from PubChem (CID 26356579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).