N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide

C21H18ClFN2O3 — CID 16852823

IUPACN-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide
SMILESCc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H18ClFN2O3/c1-14-9-19(26)20(28-13-15-5-7-17(23)8-6-15)11-25(14)12-21(27)24-18-4-2-3-16(22)10-18/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyGEQHHZCKIIBMRE-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.17
Rot. Bonds6

About N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide

N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide (PubChem CID 16852823) has the molecular formula C21H18ClFN2O3 and a molecular weight of 400.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide
PubChem CID16852823
Molecular FormulaC21H18ClFN2O3
Molecular Weight400.84 g/mol
Exact Mass400.10
IUPAC NameN-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide
SMILESCc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H18ClFN2O3/c1-14-9-19(26)20(28-13-15-5-7-17(23)8-6-15)11-25(14)12-21(27)24-18-4-2-3-16(22)10-18/h2-11H,12-13H2,1H3,(H,24,27)
InChIKeyGEQHHZCKIIBMRE-UHFFFAOYSA-N
XLogP4.17
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[(1-ethyl-2-oxo-4-quinolinyl)oxy]acetamide
CID 3244048
D4R antagonis-2
CID 163322331
2-[4-[(4-chloro-3-fluorophenyl)methoxy]piperidin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 168292271
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 5308824
N-[(2-Chloro-4-fluorophenyl)methyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)oxy]acetamide
CID 16008120
N-[3-chloro-4-[(2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetamide
CID 44449559
N-(3-chloro-2-methylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]acetamide
CID 168288343
5-(benzyloxy)-1-methyl-4-oxo-N-phenyl-1,4-dihydropyridine-2-carboxamide
CID 6480785
N-(2-chloro-4-fluorobenzyl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 16008360
5-((3-chlorobenzyl)oxy)-2-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-4H-pyran-4-one
CID 16810521
2-(5-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 16852591
N-(2-chlorobenzyl)-2-(5-((2-fluorobenzyl)oxy)-2-methyl-4-oxopyridin-1(4H)-yl)acetamide
CID 16852774

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide (CID 16852823) is N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide is Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide?
The InChIKey is GEQHHZCKIIBMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3/c1-14-9-19(26)20(28-13-15-5-7-17(23)8-6-15)11-25(14)12-21(27)24-18-4-2-3-16(22)10-18/h2-11H,12-13H2,1H3,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide?
N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide has a molecular weight of 400.84 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 16852823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).