1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one

C20H17ClFNO3 — CID 58966899

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one
SMILESCOc1cccc(OCc2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)c1
InChIInChI=1S/C20H17ClFNO3/c1-25-17-3-2-4-18(10-17)26-13-14-5-8-20(24)23(11-14)12-15-6-7-16(21)9-19(15)22/h2-11H,12-13H2,1H3
InChIKeyLUZYTANQVDONID-UHFFFAOYSA-N
MW373.81 g/mol
LogP4.28
Rot. Bonds6

About 1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one

1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one (PubChem CID 58966899) has the molecular formula C20H17ClFNO3 and a molecular weight of 373.81 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one
PubChem CID58966899
Molecular FormulaC20H17ClFNO3
Molecular Weight373.81 g/mol
Exact Mass373.09
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one
SMILESCOc1cccc(OCc2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)c1
InChIInChI=1S/C20H17ClFNO3/c1-25-17-3-2-4-18(10-17)26-13-14-5-8-20(24)23(11-14)12-15-6-7-16(21)9-19(15)22/h2-11H,12-13H2,1H3
InChIKeyLUZYTANQVDONID-UHFFFAOYSA-N
XLogP4.28
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one (CID 58966899) is 1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one is COc1cccc(OCc2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)c1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one?
The InChIKey is LUZYTANQVDONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO3/c1-25-17-3-2-4-18(10-17)26-13-14-5-8-20(24)23(11-14)12-15-6-7-16(21)9-19(15)22/h2-11H,12-13H2,1H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one?
1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one has a molecular weight of 373.81 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-5-[(3-methoxyphenoxy)methyl]pyridin-2-one is sourced from PubChem (CID 58966899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).