5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one

C23H22FNO — CID 58267215

IUPAC5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one
SMILESCc1cc(-c2ccc(CC(=O)CC(CF)c3ccccc3)cc2)ccn1
InChIInChI=1S/C23H22FNO/c1-17-13-21(11-12-25-17)20-9-7-18(8-10-20)14-23(26)15-22(16-24)19-5-3-2-4-6-19/h2-13,22H,14-16H2,1H3
InChIKeyLRCQCOFERRJUFM-UHFFFAOYSA-N
MW347.43 g/mol
LogP5.31
Rot. Bonds7

About 5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one

5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one (PubChem CID 58267215) has the molecular formula C23H22FNO and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one.

Molecular Properties

Compound Name5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one
PubChem CID58267215
Molecular FormulaC23H22FNO
Molecular Weight347.43 g/mol
Exact Mass347.17
IUPAC Name5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one
SMILESCc1cc(-c2ccc(CC(=O)CC(CF)c3ccccc3)cc2)ccn1
InChIInChI=1S/C23H22FNO/c1-17-13-21(11-12-25-17)20-9-7-18(8-10-20)14-23(26)15-22(16-24)19-5-3-2-4-6-19/h2-13,22H,14-16H2,1H3
InChIKeyLRCQCOFERRJUFM-UHFFFAOYSA-N
XLogP5.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-methylsulfanylphenyl)propan-2-one
CID 58267060
4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one
CID 58267209
1-(2-benzoylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267191
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
1-(2-fluoro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267133
3-[3-[4-(2-methyl-4-pyridinyl)phenyl]-2-oxopropyl]benzonitrile
CID 58267146
1-(2-chloro-5-methylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267145
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one
CID 58335450
iodomethane;2-methyl-4-phenylpyridine
CID 143719183
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one?
The IUPAC name of 5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one (CID 58267215) is 5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one.
What is the SMILES notation for 5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one?
The canonical SMILES for 5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one is Cc1cc(-c2ccc(CC(=O)CC(CF)c3ccccc3)cc2)ccn1.
What is the InChIKey of 5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one?
The InChIKey is LRCQCOFERRJUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO/c1-17-13-21(11-12-25-17)20-9-7-18(8-10-20)14-23(26)15-22(16-24)19-5-3-2-4-6-19/h2-13,22H,14-16H2,1H3.
What are the key properties of 5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one?
5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one has a molecular weight of 347.43 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one is sourced from PubChem (CID 58267215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).