3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide

C17H13F4NO2 — CID 59265123

IUPAC3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C17H13F4NO2/c1-24-15-7-5-12(16(22)23)8-11(15)3-2-10-4-6-13(9-14(10)18)17(19,20)21/h2-9H,1H3,(H2,22,23)/b3-2+
InChIKeyIASOYMXTVKWQPN-NSCUHMNNSA-N
MW339.29 g/mol
LogP4.12
Rot. Bonds4

About 3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide

3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide (PubChem CID 59265123) has the molecular formula C17H13F4NO2 and a molecular weight of 339.29 g/mol. Its IUPAC name is 3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide
PubChem CID59265123
Molecular FormulaC17H13F4NO2
Molecular Weight339.29 g/mol
Exact Mass339.09
IUPAC Name3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C17H13F4NO2/c1-24-15-7-5-12(16(22)23)8-11(15)3-2-10-4-6-13(9-14(10)18)17(19,20)21/h2-9H,1H3,(H2,22,23)/b3-2+
InChIKeyIASOYMXTVKWQPN-NSCUHMNNSA-N
XLogP4.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide
CID 23141524
3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002301
3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002282
ethyl 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 23141481
3-formyl-4-methoxybenzamide
CID 23141386
3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
CID 23141385
2-fluoro-1-[(Z)-prop-1-enyl]-4-(trifluoromethyl)benzene
CID 156793075
2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene
CID 167530937
ethyl (E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 10825341
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169464681
3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169474783

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide?
The IUPAC name of 3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide (CID 59265123) is 3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide?
The canonical SMILES for 3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1/C=C/c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide?
The InChIKey is IASOYMXTVKWQPN-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H13F4NO2/c1-24-15-7-5-12(16(22)23)8-11(15)3-2-10-4-6-13(9-14(10)18)17(19,20)21/h2-9H,1H3,(H2,22,23)/b3-2+.
What are the key properties of 3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide?
3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide has a molecular weight of 339.29 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide is sourced from PubChem (CID 59265123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).