4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide

C23H19F3N2O3 — CID 23141454

IUPAC4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccncc2)cc1/C=C/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H19F3N2O3/c1-30-21-9-6-19(22(29)28-15-17-10-12-27-13-11-17)14-18(21)5-2-16-3-7-20(8-4-16)31-23(24,25)26/h2-14H,15H2,1H3,(H,28,29)/b5-2+
InChIKeyMCOXWQPYZXXLMQ-GORDUTHDSA-N
MW428.41 g/mol
LogP5.09
Rot. Bonds7

About 4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide

4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide (PubChem CID 23141454) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide
PubChem CID23141454
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccncc2)cc1/C=C/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H19F3N2O3/c1-30-21-9-6-19(22(29)28-15-17-10-12-27-13-11-17)14-18(21)5-2-16-3-7-20(8-4-16)31-23(24,25)26/h2-14H,15H2,1H3,(H,28,29)/b5-2+
InChIKeyMCOXWQPYZXXLMQ-GORDUTHDSA-N
XLogP5.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dihydroxybutyl)-4-methoxy-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide
CID 23141398
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 17403034
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
3-[2-(4-chlorophenyl)ethenyl]-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 67002277
ethyl 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 23141481
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055230
2-(2-oxopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 158665021
1-methoxy-2-[(E)-2-phenylethenyl]-4-(trifluoromethoxy)benzene
CID 141369705

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide?
The IUPAC name of 4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide (CID 23141454) is 4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide?
The canonical SMILES for 4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide is COc1ccc(C(=O)NCc2ccncc2)cc1/C=C/c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide?
The InChIKey is MCOXWQPYZXXLMQ-GORDUTHDSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-30-21-9-6-19(22(29)28-15-17-10-12-27-13-11-17)14-18(21)5-2-16-3-7-20(8-4-16)31-23(24,25)26/h2-14H,15H2,1H3,(H,28,29)/b5-2+.
What are the key properties of 4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide?
4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide has a molecular weight of 428.41 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide is sourced from PubChem (CID 23141454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).