3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

C14H10F3NO2 — CID 1489531

IUPAC3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-3-1-4-11(9-10)18-13(19)7-6-12-5-2-8-20-12/h1-9H,(H,18,19)
InChIKeyZOEVSMHNTNZMSQ-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.95
Rot. Bonds3

About 3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 1489531) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID1489531
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-3-1-4-11(9-10)18-13(19)7-6-12-5-2-8-20-12/h1-9H,(H,18,19)
InChIKeyZOEVSMHNTNZMSQ-UHFFFAOYSA-N
XLogP3.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.95
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-(furan-2-yl)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enamide
CID 2572495
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 3-(furan-2-yl)prop-2-enoate
CID 3462787
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 77069436
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
CID 127125729
3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide
CID 804548

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 1489531) is 3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is O=C(C=Cc1ccco1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is ZOEVSMHNTNZMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)10-3-1-4-11(9-10)18-13(19)7-6-12-5-2-8-20-12/h1-9H,(H,18,19).
What are the key properties of 3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 281.23 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 1489531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).