1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one

C18H15ClFNO — CID 175275767

IUPAC1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one
SMILESO=C1CC(c2cccc(F)c2)=CN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H15ClFNO/c19-16-6-4-13(5-7-16)10-21-11-15(9-18(22)12-21)14-2-1-3-17(20)8-14/h1-8,11H,9-10,12H2
InChIKeyQNKRBPAGLSUNQI-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.30
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one

1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one (PubChem CID 175275767) has the molecular formula C18H15ClFNO and a molecular weight of 315.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one
PubChem CID175275767
Molecular FormulaC18H15ClFNO
Molecular Weight315.78 g/mol
Exact Mass315.08
IUPAC Name1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one
SMILESO=C1CC(c2cccc(F)c2)=CN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H15ClFNO/c19-16-6-4-13(5-7-16)10-21-11-15(9-18(22)12-21)14-2-1-3-17(20)8-14/h1-8,11H,9-10,12H2
InChIKeyQNKRBPAGLSUNQI-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.30
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-(3-fluorophenyl)-2,4-dihydropyridin-3-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one (CID 175275767) is 1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one is O=C1CC(c2cccc(F)c2)=CN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one?
The InChIKey is QNKRBPAGLSUNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO/c19-16-6-4-13(5-7-16)10-21-11-15(9-18(22)12-21)14-2-1-3-17(20)8-14/h1-8,11H,9-10,12H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one?
1-[(4-chlorophenyl)methyl]-5-(3-fluorophenyl)-2,4-dihydropyridin-3-one has a molecular weight of 315.78 g/mol, XLogP of 4.30, 3 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-(3-fluorophenyl)-2,4-dihydropyridin-3-one is sourced from PubChem (CID 175275767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).