1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one

C25H20FNO2 — CID 71769596

IUPAC1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one
SMILESO=C(C1=C(c2ccccc2)N(Cc2ccccc2)C(=O)CC1)c1ccccc1F
InChIInChI=1S/C25H20FNO2/c26-22-14-8-7-13-20(22)25(29)21-15-16-23(28)27(17-18-9-3-1-4-10-18)24(21)19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKeyASAAKTZXYAQKOM-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.24
Rot. Bonds5

About 1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one

1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one (PubChem CID 71769596) has the molecular formula C25H20FNO2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one
PubChem CID71769596
Molecular FormulaC25H20FNO2
Molecular Weight385.44 g/mol
Exact Mass385.15
IUPAC Name1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one
SMILESO=C(C1=C(c2ccccc2)N(Cc2ccccc2)C(=O)CC1)c1ccccc1F
InChIInChI=1S/C25H20FNO2/c26-22-14-8-7-13-20(22)25(29)21-15-16-23(28)27(17-18-9-3-1-4-10-18)24(21)19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKeyASAAKTZXYAQKOM-UHFFFAOYSA-N
XLogP5.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one (CID 71769596) is 1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one is O=C(C1=C(c2ccccc2)N(Cc2ccccc2)C(=O)CC1)c1ccccc1F.
What is the InChIKey of 1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one?
The InChIKey is ASAAKTZXYAQKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO2/c26-22-14-8-7-13-20(22)25(29)21-15-16-23(28)27(17-18-9-3-1-4-10-18)24(21)19-11-5-2-6-12-19/h1-14H,15-17H2.
What are the key properties of 1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one?
1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one has a molecular weight of 385.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-fluorobenzoyl)-6-phenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 71769596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).