N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide

C21H17F3N2O2 — CID 67308184

IUPACN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3ccccc3OC(F)(F)F)cc2)ccn1
InChIInChI=1S/C21H17F3N2O2/c1-14-12-16(10-11-25-14)15-6-8-18(9-7-15)26-20(27)13-17-4-2-3-5-19(17)28-21(22,23)24/h2-12H,13H2,1H3,(H,26,27)
InChIKeyMWUZHOOKTGHEGL-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.14
Rot. Bonds5

About N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide

N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 67308184) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
PubChem CID67308184
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3ccccc3OC(F)(F)F)cc2)ccn1
InChIInChI=1S/C21H17F3N2O2/c1-14-12-16(10-11-25-14)15-6-8-18(9-7-15)26-20(27)13-17-4-2-3-5-19(17)28-21(22,23)24/h2-12H,13H2,1H3,(H,26,27)
InChIKeyMWUZHOOKTGHEGL-UHFFFAOYSA-N
XLogP5.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67309182
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
2-(2-chloro-5-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67308080
2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67309295
2-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756856
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053109
1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053168
1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053045
4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
CID 67309518
2-(2-ethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711312

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide (CID 67308184) is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide is Cc1cc(-c2ccc(NC(=O)Cc3ccccc3OC(F)(F)F)cc2)ccn1.
What is the InChIKey of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is MWUZHOOKTGHEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-14-12-16(10-11-25-14)15-6-8-18(9-7-15)26-20(27)13-17-4-2-3-5-19(17)28-21(22,23)24/h2-12H,13H2,1H3,(H,26,27).
What are the key properties of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide?
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 386.37 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 67308184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).