N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C88H80F8N16O12 — CID 159486612

IUPACN-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c(C)c2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C)c(C(F)(F)F)c3)c(C)c2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(F)cc3F)c(C)c2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C)c3)c(C)c2)ncn1
InChIInChI=1S/C23H21F3N4O3.C22H19F3N4O3.C22H22N4O3.C21H18F2N4O3/c1-13-4-5-16(9-18(13)23(24,25)26)10-21(32)30-19-7-6-17(8-14(19)2)33-22-11-20(27-12-28-22)29-15(3)31;1-13-9-17(32-21-11-19(26-12-27-21)28-14(2)30)7-8-18(13)29-20(31)10-15-3-5-16(6-4-15)22(23,24)25;1-14-5-4-6-17(9-14)11-21(28)26-19-8-7-18(10-15(19)2)29-22-12-20(23-13-24-22)25-16(3)27;1-12-7-16(30-21-10-19(24-11-25-21)26-13(2)28)5-6-18(12)27-20(29)8-14-3-4-15(22)9-17(14)23/h4-9,11-12H,10H2,1-3H3,(H,30,32)(H,27,28,29,31);3-9,11-12H,10H2,1-2H3,(H,29,31)(H,26,27,28,30);4-10,12-13H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);3-7,9-11H,8H2,1-2H3,(H,27,29)(H,24,25,26,28)
InChIKeyLXQWXPXTHPDBCE-UHFFFAOYSA-N
MW1705.69 g/mol
LogP17.80
Rot. Bonds24

About N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 159486612) has the molecular formula C88H80F8N16O12 and a molecular weight of 1705.69 g/mol. Its IUPAC name is N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID159486612
Molecular FormulaC88H80F8N16O12
Molecular Weight1705.69 g/mol
Exact Mass1704.60
IUPAC NameN-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c(C)c2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C)c(C(F)(F)F)c3)c(C)c2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(F)cc3F)c(C)c2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C)c3)c(C)c2)ncn1
InChIInChI=1S/C23H21F3N4O3.C22H19F3N4O3.C22H22N4O3.C21H18F2N4O3/c1-13-4-5-16(9-18(13)23(24,25)26)10-21(32)30-19-7-6-17(8-14(19)2)33-22-11-20(27-12-28-22)29-15(3)31;1-13-9-17(32-21-11-19(26-12-27-21)28-14(2)30)7-8-18(13)29-20(31)10-15-3-5-16(6-4-15)22(23,24)25;1-14-5-4-6-17(9-14)11-21(28)26-19-8-7-18(10-15(19)2)29-22-12-20(23-13-24-22)25-16(3)27;1-12-7-16(30-21-10-19(24-11-25-21)26-13(2)28)5-6-18(12)27-20(29)8-14-3-4-15(22)9-17(14)23/h4-9,11-12H,10H2,1-3H3,(H,30,32)(H,27,28,29,31);3-9,11-12H,10H2,1-2H3,(H,29,31)(H,26,27,28,30);4-10,12-13H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);3-7,9-11H,8H2,1-2H3,(H,27,29)(H,24,25,26,28)
InChIKeyLXQWXPXTHPDBCE-UHFFFAOYSA-N
XLogP17.80
TPSA372.84 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001705.69
LogP ≤ 517.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 159486612) is N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)c(C)c2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C)c(C(F)(F)F)c3)c(C)c2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(F)cc3F)c(C)c2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C)c3)c(C)c2)ncn1.
What is the InChIKey of N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LXQWXPXTHPDBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3.C22H19F3N4O3.C22H22N4O3.C21H18F2N4O3/c1-13-4-5-16(9-18(13)23(24,25)26)10-21(32)30-19-7-6-17(8-14(19)2)33-22-11-20(27-12-28-22)29-15(3)31;1-13-9-17(32-21-11-19(26-12-27-21)28-14(2)30)7-8-18(13)29-20(31)10-15-3-5-16(6-4-15)22(23,24)25;1-14-5-4-6-17(9-14)11-21(28)26-19-8-7-18(10-15(19)2)29-22-12-20(23-13-24-22)25-16(3)27;1-12-7-16(30-21-10-19(24-11-25-21)26-13(2)28)5-6-18(12)27-20(29)8-14-3-4-15(22)9-17(14)23/h4-9,11-12H,10H2,1-3H3,(H,30,32)(H,27,28,29,31);3-9,11-12H,10H2,1-2H3,(H,29,31)(H,26,27,28,30);4-10,12-13H,11H2,1-3H3,(H,26,28)(H,23,24,25,27);3-7,9-11H,8H2,1-2H3,(H,27,29)(H,24,25,26,28).
What are the key properties of N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 1705.69 g/mol, XLogP of 17.80, 24 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(2,4-difluorophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-(3-methylphenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxy-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 159486612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).