1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one

C19H15ClFNO — CID 69440465

IUPAC1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Cc2ccc(F)cc2)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFNO/c20-17-6-1-15(2-7-17)12-22-13-16(5-10-19(22)23)11-14-3-8-18(21)9-4-14/h1-10,13H,11-12H2
InChIKeyPIUNGSYLCQNNOX-UHFFFAOYSA-N
MW327.79 g/mol
LogP4.28
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one

1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one (PubChem CID 69440465) has the molecular formula C19H15ClFNO and a molecular weight of 327.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one
PubChem CID69440465
Molecular FormulaC19H15ClFNO
Molecular Weight327.79 g/mol
Exact Mass327.08
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Cc2ccc(F)cc2)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClFNO/c20-17-6-1-15(2-7-17)12-22-13-16(5-10-19(22)23)11-14-3-8-18(21)9-4-14/h1-10,13H,11-12H2
InChIKeyPIUNGSYLCQNNOX-UHFFFAOYSA-N
XLogP4.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one (CID 69440465) is 1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one is O=c1ccc(Cc2ccc(F)cc2)cn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is PIUNGSYLCQNNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO/c20-17-6-1-15(2-7-17)12-22-13-16(5-10-19(22)23)11-14-3-8-18(21)9-4-14/h1-10,13H,11-12H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one?
1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 327.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 69440465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).