2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate

C74H48Cl4F8N10O9 — CID 158730854

IUPAC2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1.N#CCOc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1.NC(=O)COc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1.O=C(O)COc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C20H15ClF2N2O3.C18H12ClF2N3O2.C18H10ClF2N3O.C18H11ClF2N2O3/c1-2-27-19(26)11-28-18-10-17(12-3-6-14(22)7-4-12)24-20(25-18)13-5-8-15(21)16(23)9-13;19-13-6-3-11(7-14(13)21)18-23-15(10-1-4-12(20)5-2-10)8-17(24-18)26-9-16(22)25;19-14-6-3-12(9-15(14)21)18-23-16(10-17(24-18)25-8-7-22)11-1-4-13(20)5-2-11;19-13-6-3-11(7-14(13)21)18-22-15(10-1-4-12(20)5-2-10)8-16(23-18)26-9-17(24)25/h3-10H,2,11H2,1H3;1-8H,9H2,(H2,22,25);1-6,9-10H,8H2;1-8H,9H2,(H,24,25)
InChIKeyILBRZQUNARXOEZ-UHFFFAOYSA-N
MW1515.05 g/mol
LogP17.14
Rot. Bonds20

About 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate

2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate (PubChem CID 158730854) has the molecular formula C74H48Cl4F8N10O9 and a molecular weight of 1515.05 g/mol. Its IUPAC name is 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate.

Molecular Properties

Compound Name2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate
PubChem CID158730854
Molecular FormulaC74H48Cl4F8N10O9
Molecular Weight1515.05 g/mol
Exact Mass1512.22
IUPAC Name2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1.N#CCOc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1.NC(=O)COc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1.O=C(O)COc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C20H15ClF2N2O3.C18H12ClF2N3O2.C18H10ClF2N3O.C18H11ClF2N2O3/c1-2-27-19(26)11-28-18-10-17(12-3-6-14(22)7-4-12)24-20(25-18)13-5-8-15(21)16(23)9-13;19-13-6-3-11(7-14(13)21)18-23-15(10-1-4-12(20)5-2-10)8-17(24-18)26-9-16(22)25;19-14-6-3-12(9-15(14)21)18-23-16(10-17(24-18)25-8-7-22)11-1-4-13(20)5-2-11;19-13-6-3-11(7-14(13)21)18-22-15(10-1-4-12(20)5-2-10)8-16(23-18)26-9-17(24)25/h3-10H,2,11H2,1H3;1-8H,9H2,(H2,22,25);1-6,9-10H,8H2;1-8H,9H2,(H,24,25)
InChIKeyILBRZQUNARXOEZ-UHFFFAOYSA-N
XLogP17.14
TPSA270.52 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001515.05
LogP ≤ 517.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate?
The IUPAC name of 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate (CID 158730854) is 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate.
What is the SMILES notation for 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate?
The canonical SMILES for 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate is CCOC(=O)COc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1.N#CCOc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1.NC(=O)COc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1.O=C(O)COc1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate?
The InChIKey is ILBRZQUNARXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O3.C18H12ClF2N3O2.C18H10ClF2N3O.C18H11ClF2N2O3/c1-2-27-19(26)11-28-18-10-17(12-3-6-14(22)7-4-12)24-20(25-18)13-5-8-15(21)16(23)9-13;19-13-6-3-11(7-14(13)21)18-23-15(10-1-4-12(20)5-2-10)8-17(24-18)26-9-16(22)25;19-14-6-3-12(9-15(14)21)18-23-16(10-17(24-18)25-8-7-22)11-1-4-13(20)5-2-11;19-13-6-3-11(7-14(13)21)18-22-15(10-1-4-12(20)5-2-10)8-16(23-18)26-9-17(24)25/h3-10H,2,11H2,1H3;1-8H,9H2,(H2,22,25);1-6,9-10H,8H2;1-8H,9H2,(H,24,25).
What are the key properties of 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate?
2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate has a molecular weight of 1515.05 g/mol, XLogP of 17.14, 20 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetamide;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetic acid;2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetonitrile;ethyl 2-[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetate is sourced from PubChem (CID 158730854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).