1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone

C20H14ClF2NO — CID 86666812

IUPAC1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone
SMILESCC(=O)c1cc(Cl)c(C)c(-c2ccncc2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H14ClF2NO/c1-11-18(21)10-17(12(2)25)20(14-7-15(22)9-16(23)8-14)19(11)13-3-5-24-6-4-13/h3-10H,1-2H3
InChIKeyGLEJGHAVMPYWMG-UHFFFAOYSA-N
MW357.79 g/mol
LogP5.86
Rot. Bonds3

About 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone

1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone (PubChem CID 86666812) has the molecular formula C20H14ClF2NO and a molecular weight of 357.79 g/mol. Its IUPAC name is 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone
PubChem CID86666812
Molecular FormulaC20H14ClF2NO
Molecular Weight357.79 g/mol
Exact Mass357.07
IUPAC Name1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone
SMILESCC(=O)c1cc(Cl)c(C)c(-c2ccncc2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H14ClF2NO/c1-11-18(21)10-17(12(2)25)20(14-7-15(22)9-16(23)8-14)19(11)13-3-5-24-6-4-13/h3-10H,1-2H3
InChIKeyGLEJGHAVMPYWMG-UHFFFAOYSA-N
XLogP5.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.79
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone (CID 86666812) is 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone is CC(=O)c1cc(Cl)c(C)c(-c2ccncc2)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone?
The InChIKey is GLEJGHAVMPYWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2NO/c1-11-18(21)10-17(12(2)25)20(14-7-15(22)9-16(23)8-14)19(11)13-3-5-24-6-4-13/h3-10H,1-2H3.
What are the key properties of 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone?
1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone has a molecular weight of 357.79 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3,5-difluorophenyl)-4-methyl-3-pyridin-4-ylphenyl]ethanone is sourced from PubChem (CID 86666812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).