N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide

C22H20F2N2O3 — CID 16852985

IUPACN-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide
SMILESCc1ccccc1COc1cn(CC(=O)Nc2ccc(F)cc2F)c(C)cc1=O
InChIInChI=1S/C22H20F2N2O3/c1-14-5-3-4-6-16(14)13-29-21-11-26(15(2)9-20(21)27)12-22(28)25-19-8-7-17(23)10-18(19)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyIIDUIJFMIPABRR-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.96
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide

N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide (PubChem CID 16852985) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide
PubChem CID16852985
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC NameN-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide
SMILESCc1ccccc1COc1cn(CC(=O)Nc2ccc(F)cc2F)c(C)cc1=O
InChIInChI=1S/C22H20F2N2O3/c1-14-5-3-4-6-16(14)13-29-21-11-26(15(2)9-20(21)27)12-22(28)25-19-8-7-17(23)10-18(19)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyIIDUIJFMIPABRR-UHFFFAOYSA-N
XLogP3.96
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide (CID 16852985) is N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide is Cc1ccccc1COc1cn(CC(=O)Nc2ccc(F)cc2F)c(C)cc1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is IIDUIJFMIPABRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-14-5-3-4-6-16(14)13-29-21-11-26(15(2)9-20(21)27)12-22(28)25-19-8-7-17(23)10-18(19)24/h3-11H,12-13H2,1-2H3,(H,25,28).
What are the key properties of N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide?
N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 398.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2-methyl-5-[(2-methylphenyl)methoxy]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 16852985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).