1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide

C27H20F3N3O3 — CID 122480438

IUPAC1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(OC(F)(F)F)c(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C27H20F3N3O3/c28-27(29,30)36-24-14-11-20(16-23(24)26(35)32-17-22-8-4-5-15-31-22)25(34)33-21-12-9-19(10-13-21)18-6-2-1-3-7-18/h1-16H,17H2,(H,32,35)(H,33,34)
InChIKeyGWVCRPIAXCLAEG-UHFFFAOYSA-N
MW491.47 g/mol
LogP5.83
Rot. Bonds7

About 1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide

1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide (PubChem CID 122480438) has the molecular formula C27H20F3N3O3 and a molecular weight of 491.47 g/mol. Its IUPAC name is 1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide
PubChem CID122480438
Molecular FormulaC27H20F3N3O3
Molecular Weight491.47 g/mol
Exact Mass491.15
IUPAC Name1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(OC(F)(F)F)c(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C27H20F3N3O3/c28-27(29,30)36-24-14-11-20(16-23(24)26(35)32-17-22-8-4-5-15-31-22)25(34)33-21-12-9-19(10-13-21)18-6-2-1-3-7-18/h1-16H,17H2,(H,32,35)(H,33,34)
InChIKeyGWVCRPIAXCLAEG-UHFFFAOYSA-N
XLogP5.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.47
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
N-[(6-amino-3-pyridinyl)methyl]-5-[2-(4-phenylphenyl)acetyl]-2-(trifluoromethoxy)benzamide
CID 158487212
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476
5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 13037178
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide
CID 122480415
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964259
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
N-(pyridin-2-ylmethyl)-2-[3-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102035338
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide (CID 122480438) is 1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(OC(F)(F)F)c(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide?
The InChIKey is GWVCRPIAXCLAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3O3/c28-27(29,30)36-24-14-11-20(16-23(24)26(35)32-17-22-8-4-5-15-31-22)25(34)33-21-12-9-19(10-13-21)18-6-2-1-3-7-18/h1-16H,17H2,(H,32,35)(H,33,34).
What are the key properties of 1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide?
1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide has a molecular weight of 491.47 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-phenylphenyl)-3-N-(pyridin-2-ylmethyl)-4-(trifluoromethoxy)benzene-1,3-dicarboxamide is sourced from PubChem (CID 122480438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).