[5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone

C25H16Cl2FNO2 — CID 102584820

IUPAC[5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone
SMILESO=C(C1=CN(c2ccc(F)cc2)C=C(C(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C25H16Cl2FNO2/c26-20-5-1-16(2-6-20)24(30)18-13-19(25(31)17-3-7-21(27)8-4-17)15-29(14-18)23-11-9-22(28)10-12-23/h1-12,14-15H,13H2
InChIKeyZWQVBPCGXXTFJX-UHFFFAOYSA-N
MW452.31 g/mol
LogP6.88
Rot. Bonds5

About [5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone

[5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone (PubChem CID 102584820) has the molecular formula C25H16Cl2FNO2 and a molecular weight of 452.31 g/mol. Its IUPAC name is [5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone
PubChem CID102584820
Molecular FormulaC25H16Cl2FNO2
Molecular Weight452.31 g/mol
Exact Mass451.05
IUPAC Name[5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone
SMILESO=C(C1=CN(c2ccc(F)cc2)C=C(C(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C25H16Cl2FNO2/c26-20-5-1-16(2-6-20)24(30)18-13-19(25(31)17-3-7-21(27)8-4-17)15-29(14-18)23-11-9-22(28)10-12-23/h1-12,14-15H,13H2
InChIKeyZWQVBPCGXXTFJX-UHFFFAOYSA-N
XLogP6.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.31
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
1-(4-fluorophenyl)-4H-pyridine-3-carboxamide
CID 14417303
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(4-chlorophenyl)-[4-(4-chlorophenyl)-6-fluoro-1,1-dioxo-1λ6,4-benzothiazin-2-yl]methanone
CID 46297226
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669
(4-chlorophenyl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 10399889
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
CID 18779900
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
(4-fluorophenyl)-(4-piperazin-4-ium-1-ylphenyl)methanone
CID 7148698

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone (CID 102584820) is [5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone is O=C(C1=CN(c2ccc(F)cc2)C=C(C(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is ZWQVBPCGXXTFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2FNO2/c26-20-5-1-16(2-6-20)24(30)18-13-19(25(31)17-3-7-21(27)8-4-17)15-29(14-18)23-11-9-22(28)10-12-23/h1-12,14-15H,13H2.
What are the key properties of [5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone?
[5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 452.31 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4H-pyridin-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 102584820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).