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

C18H13ClFNO — CID 4603947

IUPAC1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc(F)cc2)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C18H13ClFNO/c19-16-3-1-2-13(10-16)11-21-12-15(6-9-18(21)22)14-4-7-17(20)8-5-14/h1-10,12H,11H2
InChIKeyLMBXMEQTPRNSBB-UHFFFAOYSA-N
MW313.76 g/mol
LogP4.36
Rot. Bonds3

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

1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one (PubChem CID 4603947) has the molecular formula C18H13ClFNO and a molecular weight of 313.76 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one
PubChem CID4603947
Molecular FormulaC18H13ClFNO
Molecular Weight313.76 g/mol
Exact Mass313.07
IUPAC Name1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc(F)cc2)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C18H13ClFNO/c19-16-3-1-2-13(10-16)11-21-12-15(6-9-18(21)22)14-4-7-17(20)8-5-14/h1-10,12H,11H2
InChIKeyLMBXMEQTPRNSBB-UHFFFAOYSA-N
XLogP4.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

F16357
CID 19323337
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1-(3-chlorobenzyl)-4-hydroxy-3-[(E)-3-phenyl-2-propenyl]-2(1H)-pyridinone
CID 54693110
5-chloro-1-(2-fluorobenzyl)-2(1H)-pyridinone
CID 901046
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5-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-pyridin-2-one
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1-(3-Chlorobenzoyl)-4-(2-fluorobenzyl)piperazine
CID 717254
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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one (CID 4603947) is 1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one is O=c1ccc(-c2ccc(F)cc2)cn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one?
The InChIKey is LMBXMEQTPRNSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO/c19-16-3-1-2-13(10-16)11-21-12-15(6-9-18(21)22)14-4-7-17(20)8-5-14/h1-10,12H,11H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one?
1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one has a molecular weight of 313.76 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 4603947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).