1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone

C22H17NO3 — CID 14765290

IUPAC1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone
SMILESCC(=O)c1cc(C)cc(C(=O)c2ccccc2)c1C(=O)c1ccncc1
InChIInChI=1S/C22H17NO3/c1-14-12-18(15(2)24)20(22(26)17-8-10-23-11-9-17)19(13-14)21(25)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyPYDIJBWOOUVZAN-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.05
Rot. Bonds5

About 1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone

1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone (PubChem CID 14765290) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone
PubChem CID14765290
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone
SMILESCC(=O)c1cc(C)cc(C(=O)c2ccccc2)c1C(=O)c1ccncc1
InChIInChI=1S/C22H17NO3/c1-14-12-18(15(2)24)20(22(26)17-8-10-23-11-9-17)19(13-14)21(25)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyPYDIJBWOOUVZAN-UHFFFAOYSA-N
XLogP4.05
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone
CID 159062825
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
1-(2-acetyl-3-benzoylphenyl)ethanone
CID 19898396
1-(3,4-dibenzoylphenyl)ethanone
CID 122398532
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium
CID 4004269
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
(2-amino-4-methylphenyl)-pyridin-4-ylmethanone
CID 69388421
(3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone
CID 132610001

Frequently Asked Questions

What is the IUPAC name of 1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone?
The IUPAC name of 1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone (CID 14765290) is 1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone?
The canonical SMILES for 1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone is CC(=O)c1cc(C)cc(C(=O)c2ccccc2)c1C(=O)c1ccncc1.
What is the InChIKey of 1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone?
The InChIKey is PYDIJBWOOUVZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-14-12-18(15(2)24)20(22(26)17-8-10-23-11-9-17)19(13-14)21(25)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of 1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone?
1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone has a molecular weight of 343.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone is sourced from PubChem (CID 14765290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).