N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide

C20H18FN3O — CID 113018239

IUPACN-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3ccccc3F)nc2)cc1
InChIInChI=1S/C20H18FN3O/c1-14-6-8-15(9-7-14)12-20(25)23-16-10-11-19(22-13-16)24-18-5-3-2-4-17(18)21/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyLCPYZQCGRHAOGD-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.45
Rot. Bonds5

About N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide

N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide (PubChem CID 113018239) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
PubChem CID113018239
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3ccccc3F)nc2)cc1
InChIInChI=1S/C20H18FN3O/c1-14-6-8-15(9-7-14)12-20(25)23-16-10-11-19(22-13-16)24-18-5-3-2-4-17(18)21/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyLCPYZQCGRHAOGD-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017295
N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113020511
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132
N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018544
N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113022901
2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023060
2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023074
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017196
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide (CID 113018239) is N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(Nc3ccccc3F)nc2)cc1.
What is the InChIKey of N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The InChIKey is LCPYZQCGRHAOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-14-6-8-15(9-7-14)12-20(25)23-16-10-11-19(22-13-16)24-18-5-3-2-4-17(18)21/h2-11,13H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide has a molecular weight of 335.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113018239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).