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

C22H20ClFN2O3 — CID 16852774

IUPACN-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide
SMILESCc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C22H20ClFN2O3/c1-15-10-20(27)21(29-14-17-7-3-5-9-19(17)24)12-26(15)13-22(28)25-11-16-6-2-4-8-18(16)23/h2-10,12H,11,13-14H2,1H3,(H,25,28)
InChIKeyNNNZPFUMUBXJTR-UHFFFAOYSA-N
MW414.86 g/mol
LogP3.84
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide (PubChem CID 16852774) has the molecular formula C22H20ClFN2O3 and a molecular weight of 414.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide
PubChem CID16852774
Molecular FormulaC22H20ClFN2O3
Molecular Weight414.86 g/mol
Exact Mass414.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide
SMILESCc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C22H20ClFN2O3/c1-15-10-20(27)21(29-14-17-7-3-5-9-19(17)24)12-26(15)13-22(28)25-11-16-6-2-4-8-18(16)23/h2-10,12H,11,13-14H2,1H3,(H,25,28)
InChIKeyNNNZPFUMUBXJTR-UHFFFAOYSA-N
XLogP3.84
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide (CID 16852774) is N-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide is Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide?
The InChIKey is NNNZPFUMUBXJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3/c1-15-10-20(27)21(29-14-17-7-3-5-9-19(17)24)12-26(15)13-22(28)25-11-16-6-2-4-8-18(16)23/h2-10,12H,11,13-14H2,1H3,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide has a molecular weight of 414.86 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 16852774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).