N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide

C21H19FN2O — CID 57239052

IUPACN-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2)c(-c2ccc(C)cc2C)cn1
InChIInChI=1S/C21H19FN2O/c1-13-4-9-18(14(2)10-13)20-12-23-21(24-15(3)25)11-19(20)16-5-7-17(22)8-6-16/h4-12H,1-3H3,(H,23,24,25)
InChIKeyGWYLWWGZLBMGFL-UHFFFAOYSA-N
MW334.39 g/mol
LogP5.13
Rot. Bonds3

About N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide

N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide (PubChem CID 57239052) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide
PubChem CID57239052
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC NameN-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2)c(-c2ccc(C)cc2C)cn1
InChIInChI=1S/C21H19FN2O/c1-13-4-9-18(14(2)10-13)20-12-23-21(24-15(3)25)11-19(20)16-5-7-17(22)8-6-16/h4-12H,1-3H3,(H,23,24,25)
InChIKeyGWYLWWGZLBMGFL-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide (CID 57239052) is N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccc(F)cc2)c(-c2ccc(C)cc2C)cn1.
What is the InChIKey of N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide?
The InChIKey is GWYLWWGZLBMGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-13-4-9-18(14(2)10-13)20-12-23-21(24-15(3)25)11-19(20)16-5-7-17(22)8-6-16/h4-12H,1-3H3,(H,23,24,25).
What are the key properties of N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide?
N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide has a molecular weight of 334.39 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 57239052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).