4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide

C17H14F3NO2 — CID 23141524

IUPAC4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO2/c1-23-15-9-6-13(16(21)22)10-12(15)5-2-11-3-7-14(8-4-11)17(18,19)20/h2-10H,1H3,(H2,21,22)/b5-2+
InChIKeyKUUFSWNUCVBKEG-GORDUTHDSA-N
MW321.30 g/mol
LogP3.98
Rot. Bonds4

About 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide

4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide (PubChem CID 23141524) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide
PubChem CID23141524
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide
SMILESCOc1ccc(C(N)=O)cc1/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO2/c1-23-15-9-6-13(16(21)22)10-12(15)5-2-11-3-7-14(8-4-11)17(18,19)20/h2-10H,1H3,(H2,21,22)/b5-2+
InChIKeyKUUFSWNUCVBKEG-GORDUTHDSA-N
XLogP3.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.98
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

ethyl 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 23141481
3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002282
3-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-methoxybenzamide
CID 59265123
3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
CID 23141385
3-formyl-4-methoxybenzamide
CID 23141386
3-[2-(4-bromo-2-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002301
2-hydroxy-3-methoxy-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 139552593
4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 175252681
(E)-1-(2,5-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 7515327
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 52643894
4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide
CID 23141454
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide?
The IUPAC name of 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide (CID 23141524) is 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide?
The canonical SMILES for 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide is COc1ccc(C(N)=O)cc1/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide?
The InChIKey is KUUFSWNUCVBKEG-GORDUTHDSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-23-15-9-6-13(16(21)22)10-12(15)5-2-11-3-7-14(8-4-11)17(18,19)20/h2-10H,1H3,(H2,21,22)/b5-2+.
What are the key properties of 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide?
4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide has a molecular weight of 321.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide is sourced from PubChem (CID 23141524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).