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

C18H16F3NO2 — CID 3562949

IUPAC3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H16F3NO2/c1-2-24-16-10-6-3-7-13(16)11-12-17(23)22-15-9-5-4-8-14(15)18(19,20)21/h3-12H,2H2,1H3,(H,22,23)
InChIKeyOTSGZMWCENMDRZ-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.76
Rot. Bonds5

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

3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 3562949) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID3562949
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H16F3NO2/c1-2-24-16-10-6-3-7-13(16)11-12-17(23)22-15-9-5-4-8-14(15)18(19,20)21/h3-12H,2H2,1H3,(H,22,23)
InChIKeyOTSGZMWCENMDRZ-UHFFFAOYSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.76
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

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850901
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(E)-3-(2-ethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27052725
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 51158911
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 45426859
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 9165751
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 5226614

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 3562949) is 3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is CCOc1ccccc1C=CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is OTSGZMWCENMDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-2-24-16-10-6-3-7-13(16)11-12-17(23)22-15-9-5-4-8-14(15)18(19,20)21/h3-12H,2H2,1H3,(H,22,23).
What are the key properties of 3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 335.33 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 3562949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).