N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C84H66ClF12IN16O12 — CID 161321698

About N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 161321698) has the molecular formula C84H66ClF12IN16O12 and a molecular weight of 1881.88 g/mol. Its IUPAC name is N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 161321698
• Molecular Formula: C84H66ClF12IN16O12
• Molecular Weight: 1881.88 g/mol
• Exact Mass: 1880.36
• IUPAC Name: N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cc(Cl)ccc3C(F)(F)F)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3C(F)(F)F)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccccc3I)cc2)ncn1
• InChI: InChI=1S/C22H16F6N4O3.C21H16ClF3N4O3.C21H17F3N4O3.C20H17IN4O3/c1-12(33)31-18-10-20(30-11-29-18)35-16-6-4-15(5-7-16)32-19(34)8-13-2-3-14(21(23,24)25)9-17(13)22(26,27)28;1-12(30)28-18-10-20(27-11-26-18)32-16-5-3-15(4-6-16)29-19(31)9-13-8-14(22)2-7-17(13)21(23,24)25;1-13(29)27-18-11-20(26-12-25-18)31-17-7-5-16(6-8-17)28-19(30)10-14-3-2-4-15(9-14)21(22,23)24;1-13(26)24-18-11-20(23-12-22-18)28-16-8-6-15(7-9-16)25-19(27)10-14-4-2-3-5-17(14)21/h2-7,9-11H,8H2,1H3,(H,32,34)(H,29,30,31,33);2-8,10-11H,9H2,1H3,(H,29,31)(H,26,27,28,30);2-9,11-12H,10H2,1H3,(H,28,30)(H,25,26,27,29);2-9,11-12H,10H2,1H3,(H,25,27)(H,22,23,24,26)
• InChIKey: VKFOJQARRRFTRU-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 372.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1881.88
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 161321698) is N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cc(Cl)ccc3C(F)(F)F)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3C(F)(F)F)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)ncn1.CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccccc3I)cc2)ncn1.

What is the InChIKey of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is VKFOJQARRRFTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N4O3.C21H16ClF3N4O3.C21H17F3N4O3.C20H17IN4O3/c1-12(33)31-18-10-20(30-11-29-18)35-16-6-4-15(5-7-16)32-19(34)8-13-2-3-14(21(23,24)25)9-17(13)22(26,27)28;1-12(30)28-18-10-20(27-11-26-18)32-16-5-3-15(4-6-16)29-19(31)9-13-8-14(22)2-7-17(13)21(23,24)25;1-13(29)27-18-11-20(26-12-25-18)31-17-7-5-16(6-8-17)28-19(30)10-14-3-2-4-15(9-14)21(22,23)24;1-13(26)24-18-11-20(23-12-22-18)28-16-8-6-15(7-9-16)25-19(27)10-14-4-2-3-5-17(14)21/h2-7,9-11H,8H2,1H3,(H,32,34)(H,29,30,31,33);2-8,10-11H,9H2,1H3,(H,29,31)(H,26,27,28,30);2-9,11-12H,10H2,1H3,(H,28,30)(H,25,26,27,29);2-9,11-12H,10H2,1H3,(H,25,27)(H,22,23,24,26).

What are the key properties of N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?

N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 1881.88 g/mol, XLogP of 18.97, 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)oxyphenyl]-2-[2,4-bis(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[5-chloro-2-(trifluoromethyl)phenyl]acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-(2-iodophenyl)acetamide;N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 161321698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).