4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide

C28H22F3NO3 — CID 67489572

IUPAC4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(c2ccc(C(N)=O)cc2)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C28H22F3NO3/c1-34-24-13-11-20(12-14-24)26(19-5-7-21(8-6-19)27(32)33)23-4-2-3-22(17-23)18-9-15-25(16-10-18)35-28(29,30)31/h2-17,26H,1H3,(H2,32,33)
InChIKeyYSJPBLXAZYUDOF-UHFFFAOYSA-N
MW477.48 g/mol
LogP6.54
Rot. Bonds7

About 4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide

4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide (PubChem CID 67489572) has the molecular formula C28H22F3NO3 and a molecular weight of 477.48 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide
PubChem CID67489572
Molecular FormulaC28H22F3NO3
Molecular Weight477.48 g/mol
Exact Mass477.16
IUPAC Name4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(c2ccc(C(N)=O)cc2)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C28H22F3NO3/c1-34-24-13-11-20(12-14-24)26(19-5-7-21(8-6-19)27(32)33)23-4-2-3-22(17-23)18-9-15-25(16-10-18)35-28(29,30)31/h2-17,26H,1H3,(H2,32,33)
InChIKeyYSJPBLXAZYUDOF-UHFFFAOYSA-N
XLogP6.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.48
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

CID 10273973
CID 10273973
CID 23141524
CID 23141524
CID 57396528
CID 57396528
CID 2423991
CID 2423991
CID 10296950
CID 10296950
CID 15986420
CID 15986420
CID 23141408
CID 23141408
CID 23141444
CID 23141444
CID 23141475
CID 23141475
CID 57393052
CID 57393052
CID 129105317
CID 129105317
CID 131980752
CID 131980752

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide (CID 67489572) is 4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide is COc1ccc(C(c2ccc(C(N)=O)cc2)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide?
The InChIKey is YSJPBLXAZYUDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3NO3/c1-34-24-13-11-20(12-14-24)26(19-5-7-21(8-6-19)27(32)33)23-4-2-3-22(17-23)18-9-15-25(16-10-18)35-28(29,30)31/h2-17,26H,1H3,(H2,32,33).
What are the key properties of 4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide?
4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide has a molecular weight of 477.48 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)-[3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]benzamide is sourced from PubChem (CID 67489572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).