1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one

C20H17F2NO2 — CID 69443479

IUPAC1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one
SMILESCOCc1ccc(-c2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C20H17F2NO2/c1-25-13-14-2-5-16(6-3-14)17-7-9-20(24)23(12-17)11-15-4-8-18(21)19(22)10-15/h2-10,12H,11,13H2,1H3
InChIKeyWNMQCNDOJVHDME-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.99
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one

1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one (PubChem CID 69443479) has the molecular formula C20H17F2NO2 and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one
PubChem CID69443479
Molecular FormulaC20H17F2NO2
Molecular Weight341.36 g/mol
Exact Mass341.12
IUPAC Name1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one
SMILESCOCc1ccc(-c2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C20H17F2NO2/c1-25-13-14-2-5-16(6-3-14)17-7-9-20(24)23(12-17)11-15-4-8-18(21)19(22)10-15/h2-10,12H,11,13H2,1H3
InChIKeyWNMQCNDOJVHDME-UHFFFAOYSA-N
XLogP3.99
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methanesulfonamide
CID 69439644
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one
CID 69443395
methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate
CID 69444093
bis[[4-[1-[(4-chloro-2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methyl] carbonate
CID 91593705
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
CID 69349835
5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one
CID 155295102
3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide
CID 69438815
5-amino-1-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-dione
CID 82918396
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one
CID 102794540
tert-butyl N-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methyl]carbamate
CID 91118872
1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624666

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one (CID 69443479) is 1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one is COCc1ccc(-c2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)cc1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one?
The InChIKey is WNMQCNDOJVHDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2/c1-25-13-14-2-5-16(6-3-14)17-7-9-20(24)23(12-17)11-15-4-8-18(21)19(22)10-15/h2-10,12H,11,13H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one?
1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one has a molecular weight of 341.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 69443479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).