2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide

C23H24F2N2O — CID 143790958

IUPAC2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide
SMILESCC(C)Cc1cccc(C(N)=O)c1.Cc1ccnc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C12H9F2N.C11H15NO/c1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-8(2)6-9-4-3-5-10(7-9)11(12)13/h2-7H,1H3;3-5,7-8H,6H2,1-2H3,(H2,12,13)
InChIKeyNROKFMLTVDVDLS-UHFFFAOYSA-N
MW382.45 g/mol
LogP5.32
Rot. Bonds4

About 2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide

2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide (PubChem CID 143790958) has the molecular formula C23H24F2N2O and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide
PubChem CID143790958
Molecular FormulaC23H24F2N2O
Molecular Weight382.45 g/mol
Exact Mass382.19
IUPAC Name2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide
SMILESCC(C)Cc1cccc(C(N)=O)c1.Cc1ccnc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C12H9F2N.C11H15NO/c1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-8(2)6-9-4-3-5-10(7-9)11(12)13/h2-7H,1H3;3-5,7-8H,6H2,1-2H3,(H2,12,13)
InChIKeyNROKFMLTVDVDLS-UHFFFAOYSA-N
XLogP5.32
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropyl)benzamide
CID 23130390
(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543423
5-fluoro-2-(4-methyl-2-pyridinyl)benzaldehyde
CID 141304242
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
bis(2-(2,4-difluorophenyl)-4-methylpyridine);hydron;iridium;1-(pyrazol-1-ylmethyl)pyrazole;hexafluorophosphate
CID 174791661
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
N-(3-methylphenyl)-3-(2-methylpropyl)benzamide
CID 158758785
3-[[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl-methylamino]methyl]benzamide
CID 55920671
3-methylbenzamide;2-methylpropane
CID 160767336
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543307

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide?
The IUPAC name of 2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide (CID 143790958) is 2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide is CC(C)Cc1cccc(C(N)=O)c1.Cc1ccnc(-c2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide?
The InChIKey is NROKFMLTVDVDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N.C11H15NO/c1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-8(2)6-9-4-3-5-10(7-9)11(12)13/h2-7H,1H3;3-5,7-8H,6H2,1-2H3,(H2,12,13).
What are the key properties of 2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide?
2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide has a molecular weight of 382.45 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide is sourced from PubChem (CID 143790958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).