N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide

C26H19F4N3O — CID 58447881

IUPACN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cc2C(F)(F)F)ccn1
InChIInChI=1S/C26H19F4N3O/c1-16-11-18(9-10-31-16)22-7-5-17(12-23(22)26(28,29)30)13-25(34)33-21-6-8-24(32-15-21)19-3-2-4-20(27)14-19/h2-12,14-15H,13H2,1H3,(H,33,34)
InChIKeyYBDKYMCGGXZJIO-UHFFFAOYSA-N
MW465.45 g/mol
LogP6.46
Rot. Bonds5

About N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide

N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 58447881) has the molecular formula C26H19F4N3O and a molecular weight of 465.45 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID58447881
Molecular FormulaC26H19F4N3O
Molecular Weight465.45 g/mol
Exact Mass465.15
IUPAC NameN-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cc2C(F)(F)F)ccn1
InChIInChI=1S/C26H19F4N3O/c1-16-11-18(9-10-31-16)22-7-5-17(12-23(22)26(28,29)30)13-25(34)33-21-6-8-24(32-15-21)19-3-2-4-20(27)14-19/h2-12,14-15H,13H2,1H3,(H,33,34)
InChIKeyYBDKYMCGGXZJIO-UHFFFAOYSA-N
XLogP6.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.45
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide (CID 58447881) is N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)nc3)cc2C(F)(F)F)ccn1.
What is the InChIKey of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YBDKYMCGGXZJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N3O/c1-16-11-18(9-10-31-16)22-7-5-17(12-23(22)26(28,29)30)13-25(34)33-21-6-8-24(32-15-21)19-3-2-4-20(27)14-19/h2-12,14-15H,13H2,1H3,(H,33,34).
What are the key properties of N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide?
N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 465.45 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 58447881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).