(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

C15H12F3NO2 — CID 897086

IUPAC(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C15H12F3NO2/c1-10-6-7-11(21-10)8-9-14(20)19-13-5-3-2-4-12(13)15(16,17)18/h2-9H,1H3,(H,19,20)/b9-8+
InChIKeyOHCYZCNIBNHNHD-CMDGGOBGSA-N
MW295.26 g/mol
LogP4.26
Rot. Bonds3

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

(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 897086) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID897086
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C15H12F3NO2/c1-10-6-7-11(21-10)8-9-14(20)19-13-5-3-2-4-12(13)15(16,17)18/h2-9H,1H3,(H,19,20)/b9-8+
InChIKeyOHCYZCNIBNHNHD-CMDGGOBGSA-N
XLogP4.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
CID 26356579
2-fluoro-N-[4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765497
N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71904712
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 721179
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 18158409
N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4988689
(E)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78810129
(E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47234593
3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76856320
(E)-N-(2-bromo-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47249112

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 897086) is (E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is OHCYZCNIBNHNHD-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-10-6-7-11(21-10)8-9-14(20)19-13-5-3-2-4-12(13)15(16,17)18/h2-9H,1H3,(H,19,20)/b9-8+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 295.26 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 897086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).