2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone

C₆₄H₆₃Cl₃F₄N₆O₄ — CID 159260234

About 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone

2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone (PubChem CID 159260234) has the molecular formula C₆₄H₆₃Cl₃F₄N₆O₄ and a molecular weight of 1162.60 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
• PubChem CID: 159260234
• Molecular Formula: C₆₄H₆₃Cl₃F₄N₆O₄
• Molecular Weight: 1162.60 g/mol
• Exact Mass: 1160.39
• IUPAC Name: 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
• SMILES: CC(C)c1cc(CC(=O)c2ccc(Cl)cn2)ccc1F.CC(C)c1nc(CC(=O)c2ccc(Cl)cn2)ccc1F.Cc1ccc(C(=O)Cc2ccc(F)c(C(C)C)c2)nc1.Cc1cnc(C(=O)Cc2cc(Cl)c(F)c(C(C)C)c2)cn1
• InChI: InChI=1S/C17H18FNO.C16H16ClFN2O.C16H15ClFNO.C15H14ClFN2O/c1-11(2)14-8-13(5-6-15(14)18)9-17(20)16-7-4-12(3)10-19-16;1-9(2)12-4-11(5-13(17)16(12)18)6-15(21)14-8-19-10(3)7-20-14;1-10(2)13-7-11(3-5-14(13)18)8-16(20)15-6-4-12(17)9-19-15;1-9(2)15-12(17)5-4-11(19-15)7-14(20)13-6-3-10(16)8-18-13/h4-8,10-11H,9H2,1-3H3;4-5,7-9H,6H2,1-3H3;3-7,9-10H,8H2,1-2H3;3-6,8-9H,7H2,1-2H3
• InChIKey: KWKIXIABJGDNQH-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 145.62 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1162.60
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?

The IUPAC name of 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone (CID 159260234) is 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone.

What is the SMILES notation for 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?

The canonical SMILES for 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone is CC(C)c1cc(CC(=O)c2ccc(Cl)cn2)ccc1F.CC(C)c1nc(CC(=O)c2ccc(Cl)cn2)ccc1F.Cc1ccc(C(=O)Cc2ccc(F)c(C(C)C)c2)nc1.Cc1cnc(C(=O)Cc2cc(Cl)c(F)c(C(C)C)c2)cn1.

What is the InChIKey of 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?

The InChIKey is KWKIXIABJGDNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO.C16H16ClFN2O.C16H15ClFNO.C15H14ClFN2O/c1-11(2)14-8-13(5-6-15(14)18)9-17(20)16-7-4-12(3)10-19-16;1-9(2)12-4-11(5-13(17)16(12)18)6-15(21)14-8-19-10(3)7-20-14;1-10(2)13-7-11(3-5-14(13)18)8-16(20)15-6-4-12(17)9-19-15;1-9(2)15-12(17)5-4-11(19-15)7-14(20)13-6-3-10(16)8-18-13/h4-8,10-11H,9H2,1-3H3;4-5,7-9H,6H2,1-3H3;3-7,9-10H,8H2,1-2H3;3-6,8-9H,7H2,1-2H3.

What are the key properties of 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?

2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 1162.60 g/mol, XLogP of 16.45, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1-(5-methylpyrazin-2-yl)ethanone;1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;1-(5-chloro-2-pyridinyl)-2-(5-fluoro-6-propan-2-yl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 159260234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159260234 — identifiers, structure, computed properties (public domain)

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