1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one

C22H21ClFNO4 — CID 46911566

IUPAC1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCC(C)(O)COc1ccc(-n2ccc(OCc3ccc(F)cc3)cc2=O)cc1Cl
InChIInChI=1S/C22H21ClFNO4/c1-22(2,27)14-29-20-8-7-17(11-19(20)23)25-10-9-18(12-21(25)26)28-13-15-3-5-16(24)6-4-15/h3-12,27H,13-14H2,1-2H3
InChIKeyNLZJRALIAMZZFD-UHFFFAOYSA-N
MW417.86 g/mol
LogP4.36
Rot. Bonds7

About 1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one

1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 46911566) has the molecular formula C22H21ClFNO4 and a molecular weight of 417.86 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID46911566
Molecular FormulaC22H21ClFNO4
Molecular Weight417.86 g/mol
Exact Mass417.11
IUPAC Name1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCC(C)(O)COc1ccc(-n2ccc(OCc3ccc(F)cc3)cc2=O)cc1Cl
InChIInChI=1S/C22H21ClFNO4/c1-22(2,27)14-29-20-8-7-17(11-19(20)23)25-10-9-18(12-21(25)26)28-13-15-3-5-16(24)6-4-15/h3-12,27H,13-14H2,1-2H3
InChIKeyNLZJRALIAMZZFD-UHFFFAOYSA-N
XLogP4.36
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,3-dihydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 58580266
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-3-[2-(4-fluorophenyl)ethoxy]pyrazin-2-one
CID 53236733
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxy-3-methoxyphenyl)pyridin-2-one;4-[(4-fluorophenyl)methoxy]-1-[4-(3-hydroxy-3-methylbutoxy)-3-methoxyphenyl]pyridin-2-one;3-methylbutane-1,3-diol
CID 160563044
1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 123190083
4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580294
ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate
CID 69084633
4-[(4-fluorophenyl)methoxy]-1-[2-(hydroxymethyl)quinolin-6-yl]pyridin-2-one
CID 69082097
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569
1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 53476377
4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 11654412
1-[3-fluoro-4-(2-hydroxy-2-methylpropoxy)phenyl]-3-[2-(4-fluorophenyl)ethoxy]pyrazin-2-one
CID 53236734

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 46911566) is 1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is CC(C)(O)COc1ccc(-n2ccc(OCc3ccc(F)cc3)cc2=O)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is NLZJRALIAMZZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFNO4/c1-22(2,27)14-29-20-8-7-17(11-19(20)23)25-10-9-18(12-21(25)26)28-13-15-3-5-16(24)6-4-15/h3-12,27H,13-14H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 417.86 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 46911566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).