2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide

C22H20F2N2O3 — CID 16852857

IUPAC2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H20F2N2O3/c1-15-10-20(27)21(29-14-17-4-8-19(24)9-5-17)12-26(15)13-22(28)25-11-16-2-6-18(23)7-3-16/h2-10,12H,11,13-14H2,1H3,(H,25,28)
InChIKeyCCGPVIBIMLXYNF-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.33
Rot. Bonds7

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

2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 16852857) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID16852857
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H20F2N2O3/c1-15-10-20(27)21(29-14-17-4-8-19(24)9-5-17)12-26(15)13-22(28)25-11-16-2-6-18(23)7-3-16/h2-10,12H,11,13-14H2,1H3,(H,25,28)
InChIKeyCCGPVIBIMLXYNF-UHFFFAOYSA-N
XLogP3.33
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44469273
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CID 10370141
CID 10370141
CID 162666832
CID 162666832
CID 162671445
CID 162671445
CID 3623031
CID 3623031
CID 6480785
CID 6480785
CID 16852591
CID 16852591
CID 16852774
CID 16852774
CID 16852776
CID 16852776

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 16852857) is 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide is Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is CCGPVIBIMLXYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-15-10-20(27)21(29-14-17-4-8-19(24)9-5-17)12-26(15)13-22(28)25-11-16-2-6-18(23)7-3-16/h2-10,12H,11,13-14H2,1H3,(H,25,28).
What are the key properties of 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 398.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 16852857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).