1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one

C22H22FNO — CID 3389357

IUPAC1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one
SMILESCC(C)(C)c1ccc(Cn2c(-c3ccc(F)cc3)cccc2=O)cc1
InChIInChI=1S/C22H22FNO/c1-22(2,3)18-11-7-16(8-12-18)15-24-20(5-4-6-21(24)25)17-9-13-19(23)14-10-17/h4-14H,15H2,1-3H3
InChIKeyPNTDWKOUCMZUEF-UHFFFAOYSA-N
MW335.42 g/mol
LogP5.00
Rot. Bonds3

About 1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one

1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one (PubChem CID 3389357) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one
PubChem CID3389357
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC Name1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one
SMILESCC(C)(C)c1ccc(Cn2c(-c3ccc(F)cc3)cccc2=O)cc1
InChIInChI=1S/C22H22FNO/c1-22(2,3)18-11-7-16(8-12-18)15-24-20(5-4-6-21(24)25)17-9-13-19(23)14-10-17/h4-14H,15H2,1-3H3
InChIKeyPNTDWKOUCMZUEF-UHFFFAOYSA-N
XLogP5.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-N,N-di(propan-2-yl)benzamide
CID 2741225
1-Biphenyl-4-ylmethylmaleimide
CID 45483984
N-Benzyl-4-tert-butyl-N-methylbenzamide
CID 694646
2-[3-(4-Tert-butylphenyl)acryloyl]-1,2,3,4-tetrahydroisoquinoline
CID 1370609
4-tert-butyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-propan-2-ylbenzamide
CID 42702456
6-[4-(4-Tert-butylphenyl)phenyl]-1-hydroxy-4-methylpyridin-2-one
CID 132961590
(E)-N-[[4-dimethylamino-4-(3-fluorophenyl)-1-methyl-cyclohexyl]-methyl]-3-phenylacrylamide
CID 44252681
N-benzyl-4-tert-butyl-N-(propan-2-yl)benzamide
CID 1310863
2-[3-(4-Ethylphenyl)acryloyl]-1,2,3,4-tetrahydroisoquinoline
CID 1747288
4-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 46591421
2-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
CID 52571868
(E)-3-(4-tert-butylphenyl)-N-[(4-phenylphenyl)methyl]prop-2-enamide
CID 145975436

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one (CID 3389357) is 1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one is CC(C)(C)c1ccc(Cn2c(-c3ccc(F)cc3)cccc2=O)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one?
The InChIKey is PNTDWKOUCMZUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c1-22(2,3)18-11-7-16(8-12-18)15-24-20(5-4-6-21(24)25)17-9-13-19(23)14-10-17/h4-14H,15H2,1-3H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one?
1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one has a molecular weight of 335.42 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-6-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 3389357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).