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

C18H13ClFNO2 — CID 166715606

IUPAC4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one
SMILESO=c1cc(-c2cccc(OCc3ccc(Cl)cc3F)c2)cc[nH]1
InChIInChI=1S/C18H13ClFNO2/c19-15-5-4-14(17(20)10-15)11-23-16-3-1-2-12(8-16)13-6-7-21-18(22)9-13/h1-10H,11H2,(H,21,22)
InChIKeyPQBFUMQSEJZKAZ-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.41
Rot. Bonds4

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

4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one (PubChem CID 166715606) has the molecular formula C18H13ClFNO2 and a molecular weight of 329.76 g/mol. Its IUPAC name is 4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one
PubChem CID166715606
Molecular FormulaC18H13ClFNO2
Molecular Weight329.76 g/mol
Exact Mass329.06
IUPAC Name4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one
SMILESO=c1cc(-c2cccc(OCc3ccc(Cl)cc3F)c2)cc[nH]1
InChIInChI=1S/C18H13ClFNO2/c19-15-5-4-14(17(20)10-15)11-23-16-3-1-2-12(8-16)13-6-7-21-18(22)9-13/h1-10H,11H2,(H,21,22)
InChIKeyPQBFUMQSEJZKAZ-UHFFFAOYSA-N
XLogP4.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393626
4-chloro-1-[[3-(3-chloroprop-1-ynyl)phenoxy]methyl]-2-fluorobenzene
CID 114857364
3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849637
5-[[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598093
6-[(4-chloro-2-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 114849263
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
4-[(3,4-difluorophenyl)methoxy]-1H-pyridin-2-one
CID 71087005
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
N'-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethane-1,2-diamine
CID 117097512
4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 154798923
3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde
CID 102974979

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one (CID 166715606) is 4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one is O=c1cc(-c2cccc(OCc3ccc(Cl)cc3F)c2)cc[nH]1.
What is the InChIKey of 4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one?
The InChIKey is PQBFUMQSEJZKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2/c19-15-5-4-14(17(20)10-15)11-23-16-3-1-2-12(8-16)13-6-7-21-18(22)9-13/h1-10H,11H2,(H,21,22).
What are the key properties of 4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one?
4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one has a molecular weight of 329.76 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 166715606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).